Ctx Lifesciences

CAS 881386-01-2

Chemistry, 2 End Use API, 92 Related Intermediates

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Also known as: 881386-01-2, 3,3-dichloro-1-(4-nitrophenyl)-2-piperidinone, 2-piperidinone, 3,3-dichloro-1-(4-nitrophenyl)-, Schembl8253678, Dtxsid20729544, Amy40512

Molecular Formula

C₁₁H₁₀Cl₂N₂O₃

Molecular Weight

289.11 g/mol

InChI Key

KKVYXBZVPRSWHE-UHFFFAOYSA-N

1 2D Structure

CAS 881386-01-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one

2.1.2 InChI

InChI=1S/C11H10Cl2N2O3/c12-11(13)6-1-7-14(10(11)16)8-2-4-9(5-3-8)15(17)18/h2-5H,1,6-7H2

2.1.3 InChI Key

KKVYXBZVPRSWHE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(C(=O)N(C1)C2=CC=C(C=C2)[N+](=O)[O-])(Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 881386-01-2

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

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

4. Schembl8253678

5. Dtxsid20729544

6. Amy40512

7. Bcp18031

8. Cs-m2357

9. Akos025401970

10. Zinc166869058

11. Ac-27670

12. Cs-13236

13. Da-24813

14. Ft-0730444

15. J-511063

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀Cl₂N₂O₃
Molecular Weight	289.11 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	288.0068476 g/mol
Monoisotopic Mass	288.0068476 g/mol
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	349
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

545445-44-1

End Use API

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CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing business in over 70 countries. In these five years, all my thoughts and actions have been to enhance the life of my organization by serving the pharmaceutical industry with complete dedication. CTX is accredited with US FDA, EU GMP, PMDA Japan and COFEPRIS Mexico cGMP. The ultimate business strategy of CTX Life Sciences is “ to be a partner in the global pharmaceutical and chemical industries and continue to be a reliable and consistent supplier of APIs and Intermediates.

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