(4-Bromophenyl) (3-methylphenyl) methanone

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CAS Number

27428-61-1

MDL Number

MFCD06201440

Smiles

C (=O) (c1cc (C) ccc1) c1ccc (Br) cc1

Chemical Information

4-Bromo-3'-methylbenzophenone

CAS Number	27428-61-1
PubChem CID	2757055
IUPAC Name	(4-bromophenyl)-(3-methylphenyl)methanone
Molecular Formula	C14H11BrO
Molecular Weight	275.14
XLogP	4.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	243

SMILES

CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H11BrO/c1-10-3-2-4-12(9-10)14(16)11-5-7-13(15)8-6-11/h2-9H,1H3

InChIKey

CKOJVDGMHBXDGZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27428-61-1

CID: 2757055

Formula: C14H11BrO

MW: 275.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.14
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	273.99933
Monoisotopic Mass	273.99933
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	243
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
OR1098591-01	(3-Bromophenyl) (3-methylphenyl) methanone
OR1094223	(3-Bromophenyl) (2-methylphenyl) methanone
OR1098586	(3-bromophenyl) (4-bromophenyl) methanone
PC1022467	(3-Bromophenyl) (3-fluoro-5-methylphenyl) methanone
OR1082385-01	(4-chloro-3-methylphenyl) (3-methylphenyl) -Methanone
PC1009133-01	(3-Fluoro-4-methylphenyl) (3-methylphenyl) methanone
PC1013435-01	(4-fluoro-3-methylphenyl) (3-methylphenyl) -Methanone
OR1082382-01	(3-chloro-4-methylphenyl) (3-methylphenyl) -Methanone
OR1098524-01	(3-bromophenyl) (4-chlorophenyl) methanone
OR1096167	(4-Bromophenyl) (3-chlorophenyl) methanone

Catalog	Name
424682-01	(3-Bromophenyl) (4-methylphenyl) methanone
431288-01	(4-Bromophenyl) (3-chlorophenyl) methanone
UTB45799-01	(3-Methanesulfonylphenyl) (4-methylphenyl) methanone
160751	(3,4-Diaminophenyl) (4-methylphenyl) -methanone
sc-256479	(3-Bromophenyl) (morpholin-4-yl) ) methanone
FB66995-01	(4-Bromophenyl) - (pyridin-3-yl) methanone
DCA34239-01	Cyclobutyl (4-methylphenyl) methanone
CAA78944-01	Cyclohexyl (4-methylphenyl) methanone
sc-278911	Cyclopropyl (4-methylphenyl) methanone
FH 1G 0A14-01	Bis (4-methylphenyl) methanone