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Also known as: 88675-31-4, 2-bromo-2-phenyl-1-(4-fluorophenyl)-ethanone, 2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one, Ethanone, 2-bromo-1-(4-fluorophenyl)-2-phenyl-, Schembl682581, Dtxsid20461735
Molecular Formula
C14H10BrFO
Molecular Weight
293.13  g/mol
InChI Key
DYTDDALWSRMTDA-UHFFFAOYSA-N

88675-31-4
1 2D Structure

88675-31-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromo-1-(4-fluorophenyl)-2-phenylethanone
2.1.2 InChI
InChI=1S/C14H10BrFO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
2.1.3 InChI Key
DYTDDALWSRMTDA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)F)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 88675-31-4

2. 2-bromo-2-phenyl-1-(4-fluorophenyl)-ethanone

3. 2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one

4. Ethanone, 2-bromo-1-(4-fluorophenyl)-2-phenyl-

5. Schembl682581

6. Dtxsid20461735

7. Dytddalwsrmtda-uhfffaoysa-n

8. Mfcd00699290

9. Akos015901677

10. Am85946

11. Ds-15359

12. Cs-0199675

13. 2-bromo-2-phenyl-1-(gamma-fluorophenyl)-ethanone

14. Adk-2; 2-bromo-1-(4-fluorophenyl)-2-phenylethanone; 2-bromo-2-phenyl-1-(4-fluorophenyl)-ethanone

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 293.13 g/mol
Molecular Formula C14H10BrFO
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area17.1
Heavy Atom Count17
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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