1- (4-Bromophenyl) -2-Phenylethanone

CAT: 0127-OR1008938-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1008938-01Size:250 mg

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CAS Number

2001-29-8

MDL Number

MFCD00016331

Purity

98%

Smiles

Brc1ccc(cc1)C(=O)Cc2ccccc2

Chemical Information

1-(4-Bromophenyl)-2-phenylethanone

1-(4-bromophenyl)-2-phenylethan-1-one is a stilbenoid.

CAS Number	2001-29-8
PubChem CID	519738
IUPAC Name	1-(4-bromophenyl)-2-phenylethanone
Molecular Formula	C14H11BrO
Molecular Weight	275.14
XLogP	3.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	225

SMILES

C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H11BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey

MOSIKPSTRPODHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2001-29-8

CID: 519738

Formula: C14H11BrO

MW: 275.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.14
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	273.99933
Monoisotopic Mass	273.99933
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225
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
Compound Is Canonicalized	Yes

Catalog	Name
OR1031491-01	2- (2-Bromophenyl) -1-phenylethanone
OR1096031	1- (3-Bromophenyl) -2-phenylethanone
PC9944-01	1- (4-Fluorophenyl) -2-phenylethanone
OR1092210-01	1- (4-Ethoxyphenyl) -2-phenylethanone
OR1027094-01	1- (4-Hydroxyphenyl) -2-phenylethanone
OR1038674	2- (4-Chlorophenyl) -1-phenylethanone
OR95998-01	1- (2,4-Dihydroxyphenyl) -2-phenylethanone
PC1009585-01	1- (2-Fluoro-4-methylphenyl) -2-phenylethanone
OR1040043-01	1- (4-Bromophenyl) -2-phenylethane-1,2-dione
OR1100591-01	2-Cyclohexyl-1-phenylethanone

Catalog	Name
FH HF 0063-01	2- (4-bromophenyl) -1-phenylethanone
FH HF 0066-01	1- (4-bromophenyl) -2-phenylethanone
sc-282952	2-Bromo-2-[2- (4-bromophenyl) hydrazono]-1-phenylethanone
TRC-C377865-1G	2-(4-Chlorophenyl)-1-phenylethanone
sc-258465A	1- (4-Fluorophenyl) -2-phenylethanone
sc-273856	2- (4-chlorophenyl) -1-phenylethanone
sc-302449	1- (4-Phenoxyphenyl) -2-phenylethanone
sc-339744A	2- (3,4-dimethylphenyl) -1-phenylethanone
C4980-22	1-[4- (2-Chloroethoxy) phenyl]-2-phenylethanone
AR-F01512-01	1- (2-hydroxy-4-isopropoxyphenyl) -2-phenylethanone