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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

19501-58-7

End Use API

Maisuriya Pharma Solutions is a research-driven & technology-oriented company. Continuous innovations & i...

Maisuriya Pharma Solutions is a research-driven & technology-oriented company. Continuous innovations & improvement are the lifeblood of our business. Our major focus is to offer pharmaceutical solutions globally. Our core expertise: Development of processes and production of complex molecules for Lifesciences and Specialty Chemicals markets. We are committed to providing customers with products fulfilling customers’ needs and expectations. Maisuriya Pharma Solutions ensures Safety and Reliability with respect to regulations (sustainable development, ISO, GMP), and guarantees total confidentiality.

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