Vitalpharms

CAS 132812-72-7

Chemistry, 4 End Use API, 1 Related Intermediates

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Also known as: 132812-72-7, 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-1h-cycloocta[b]pyridin-2-one, 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta-[b]pyridin-2(1h)-one, Dtxsid90567071, Bcp06165, Zinc22007112

Molecular Formula

C₁₇H₁₈FNO

Molecular Weight

271.33 g/mol

InChI Key

NHKNCECTTVQJJR-UHFFFAOYSA-N

1 2D Structure

CAS 132812-72-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one

2.1.2 InChI

InChI=1S/C17H18FNO/c18-13-9-7-12(8-10-13)15-11-17(20)19-16-6-4-2-1-3-5-14(15)16/h7-11H,1-6H2,(H,19,20)

2.1.3 InChI Key

NHKNCECTTVQJJR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCCC2=C(CC1)C(=CC(=O)N2)C3=CC=C(C=C3)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 132812-72-7

2. 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-1h-cycloocta[b]pyridin-2-one

3. 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta-[b]pyridin-2(1h)-one

4. Dtxsid90567071

5. Bcp06165

6. Zinc22007112

7. Akos015907068

8. Db-122994

9. Ft-0668683

10. D88050

11. A888253

12. 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-2(1h)-one

13. 4-(4-fluoro-phenyl)-5,6,7,8,9,10-hexahydro-1h-cycloocta[b]pyridin-2-one

14. 4-(4-fluorophenyl)-1h,2h,5h,6h,7h,8h,9h,10h-cycloocta[b]pyridin-2-one

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₈FNO
Molecular Weight	271.33 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	271.137242360 g/mol
Monoisotopic Mass	271.137242360 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	444
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

132812-72-7

Intermediate Name

4-(4-Fluorophenyl)-5,6,7,8,9,10-hex...

About the Company

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and dis...

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and distributing of API and intermediates of generics all over the world. The intelligent and professional management and executive team have its expertise into pharmaceutical industries for many years. With the continuous approval of GSP certification, Vitalpharms has been the qualified vendor for the majority of TOP100 pharmaceutical companies in China. Over the past almost 20 years, Vitalpharms has carved a niche for itself in providing value added into import, export, marketing, distributing and project management services.

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