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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

CAS 1378387-81-5
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 Weight 357.57 g/mol
Molecular Formula C15H8BrClF2O
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass355.94151 g/mol
Monoisotopic Mass355.94151 g/mol
Topological Polar Surface Area17.1 Ų
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

BUILDING BLOCK

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