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CAS 545445-10-1
Also known as: 545445-10-1, 2-piperidinone, 3,3-dichloro-1-(4-iodophenyl)-, 3,3-dichloro-1-(4-iodophenyl)-piperidin-2-one, 3,3-dichloro-1-(4-iodophenyl)-2-piperidinone, Schembl1919626, Dtxsid00625156
Molecular Formula
C11H10Cl2INO
Molecular Weight
370.01  g/mol
InChI Key
JVLADMOFJQGIIN-UHFFFAOYSA-N

1 2D Structure

CAS 545445-10-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,3-dichloro-1-(4-iodophenyl)piperidin-2-one
2.1.2 InChI
InChI=1S/C11H10Cl2INO/c12-11(13)6-1-7-15(10(11)16)9-4-2-8(14)3-5-9/h2-5H,1,6-7H2
2.1.3 InChI Key
JVLADMOFJQGIIN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(C(=O)N(C1)C2=CC=C(C=C2)I)(Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 545445-10-1

2. 2-piperidinone, 3,3-dichloro-1-(4-iodophenyl)-

3. 3,3-dichloro-1-(4-iodophenyl)-piperidin-2-one

4. 3,3-dichloro-1-(4-iodophenyl)-2-piperidinone

5. Schembl1919626

6. Dtxsid00625156

7. Cs-m2279

8. Vwa44510

9. Zinc89228487

10. Akos027295290

11. Cs-14599

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 370.01 g/mol
Molecular Formula C11H10Cl2INO
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass368.91842 g/mol
Monoisotopic Mass368.91842 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Apixaban
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.
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Apixaban
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.
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Apixaban
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.
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Apixaban
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.
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