Pmc Isochem

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

1575-61-7

End Use API

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.