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 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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