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CAS 88675-31-4

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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

CAS 88675-31-4

1 2D Structure

CAS 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 Formula	C₁₄H₁₀BrFO
Molecular Weight	293.13 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	17.1
Heavy Atom Count	17
Formal Charge	0
Complexity	255
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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