3-Bromo-4'-methoxybenzophenone

CAT: 0127-OR14751-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

54118-76-2

Synonyms

(3-Bromophenyl) (4-methoxyphenyl) methanone, 4- (3-Bromobenzoyl) anisole

MDL Number

MFCD01311588

Purity

=95%

Smiles

COc1ccc(cc1)C(=O)c2cccc(Br)c2

Storage Conditions

Store at 2-8°C

Chemical Information

(3-Bromophenyl)(4-methoxyphenyl)methanone

CAS Number	54118-76-2
PubChem CID	2757031
IUPAC Name	(3-bromophenyl)-(4-methoxyphenyl)methanone
Molecular Formula	C14H11BrO2
Molecular Weight	291.14
XLogP	3.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	259

SMILES

COC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H11BrO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9H,1H3

InChIKey

VIRBFLHMELPKFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54118-76-2

CID: 2757031

Formula: C14H11BrO2

MW: 291.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.14
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	289.99424
Monoisotopic Mass	289.99424
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	259
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
PC2419	4-Bromo-3'-fluoro-4'-methoxybenzophenone
PC2417	3-Bromo-3'-fluoro-4'-methoxybenzophenone
OR5356-01	4-Methoxybenzophenone
PC3817FM-01	4-Fluoro-4'-methoxybenzophenone
PC9531	4-Chloro-3'-fluoro-4'-methoxybenzophenone
OR912631-01	4-Chloro-4'-methoxybenzophenone
PC9535	3-Chloro-3'-fluoro-4'-methoxybenzophenone
PC10390	2-Fluoro-4'-methoxybenzophenone
OR471451	2-Amino-4'-methoxybenzophenone
OR11337-01	2-Hydroxy-4-methoxybenzophenone

Catalog	Name
431076-01	4-Bromo-4'-methoxybenzophenone
sc-322400	3-Bromo-3',5'-dimethyl-4'-methoxybenzophenone
GTR19250689-01	4-Methoxybenzophenone
006365	3-Chloro-4'-methoxybenzophenone
TRC-C066310-500MG	4-Chloro-3'-methoxybenzophenone
sc-322710	3,4-Difluoro-4'-methoxybenzophenone
sc-322700	3,4-Difluoro-3'-methoxybenzophenone
sc-322687	3,4-Dichloro-4'-methoxybenzophenone
sc-322673	3,4-Dichloro-3'-methoxybenzophenone
sc-322803	3,5-Difluoro-4'-methoxybenzophenone