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CAS 881386-01-2 manufacturers and suppliers on PharmaCompass

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CAS 881386-01-2
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 Weight 289.11 g/mol
Molecular Formula C11H10Cl2N2O3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass288.0068476 g/mol
Monoisotopic Mass288.0068476 g/mol
Topological Polar Surface Area66.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag France
Digital Content Digital Content
1575-61-7
Apixaban
PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...
PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.
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