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CAS 1378387-81-5
PharmaCompass
CAS 1378387-81-5
Also known as: 1378387-81-5, 1-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-2-chloroethanone, 1-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-2-chloro-ethanone, Ak167572, 7-bromo-2-(chloroacetyl)-9,9-difluorofluorene, 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone
Molecular Formula
C15H8BrClF2O
Molecular Weight
357.579  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-chloroethanone

3. 1-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-2-chloro-ethanone

4. Ak167572

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

6. 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone

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

8. Schembl2708516

9. Molport-039-010-458

10. Cs-m3016

11. Ks-00000z8b

12. Mfcd28400046

13. Akos025287354

14. Zinc141372134

15. Acn-043291

16. Cm14170

17. B5130

18. Ft-0741596

19. 1-(7-bromo-9,9-difluoro-9h-fluoren-2-yl)-2-chloroethan-1-one

2.3 Create Date
2012-08-20
3 Chemical and Physical Properties
Molecular Weight 357.579 g/mol
Molecular Formula C15H8BrClF2O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass355.942 g/mol
Monoisotopic Mass355.942 g/mol
Topological Polar Surface Area17.1 A^2
Heavy Atom Count20
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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