Pmc Isochem

CAS 1378387-81-5

Chemistry, 4 End Use API, 18 Related Intermediates

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Also known as: 1378387-81-5, 1-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-2-chloro-ethanone, 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone, Mfcd28400046, 7-bromo-2-(chloroacetyl)-9,9-difluorofluorene, Schembl2708516

Molecular Formula

C₁₅H₈BrClF₂O

Molecular Weight

357.57 g/mol

InChI Key

KHQZXVZXRCFXSC-UHFFFAOYSA-N

1 2D Structure

CAS 1378387-81-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone

2.1.2 InChI

InChI=1S/C15H8BrClF2O/c16-9-2-4-11-10-3-1-8(14(20)7-17)5-12(10)15(18,19)13(11)6-9/h1-6H,7H2

2.1.3 InChI Key

KHQZXVZXRCFXSC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=C1C(=O)CCl)C(C3=C2C=CC(=C3)Br)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1378387-81-5

2. 1-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-2-chloro-ethanone

3. 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone

4. Mfcd28400046

5. 7-bromo-2-(chloroacetyl)-9,9-difluorofluorene

6. Schembl2708516

7. Dtxsid301197493

8. Amy12361

9. Bcp11401

10. Cs-m3016

11. Akos025287354

12. Zinc141372134

13. Ac-28977

14. Cs-13248

15. Da-30751

16. Sy042651

17. B5130

18. Ft-0741596

19. F30025

20. A853035

2.3 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₈BrClF₂O
Molecular Weight	357.57 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	355.94151 g/mol
Monoisotopic Mass	355.94151 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	403
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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PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

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CAS Number

74761-42-5

End Use API

Ledipasvir

About the Company

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.