1- (2,5-Dibromophenyl) ethanone

CAT: 0926-FD70431-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FD70431-01Size:500 mg

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CAS Number

32937-55-6

Synonyms

2′,5′-Dibromoacetophenone

MDL Number

MFCD02683855

Smiles

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

Molecular Formula

C8H6Br2O

Molecular Weight

277.94 g/mol

Controlled

Chemical Information

1-(2,5-Dibromophenyl)ethan-1-one

CAS Number	32937-55-6
PubChem CID	13158580
IUPAC Name	1-(2,5-dibromophenyl)ethanone
Molecular Formula	C8H6Br2O
Molecular Weight	277.94
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

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

InChI

InChI=1S/C8H6Br2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3

InChIKey

QFXROJNBTPMHSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32937-55-6

CID: 13158580

Formula: C8H6Br2O

MW: 277.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.94
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	277.87649
Monoisotopic Mass	275.87854
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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
SDB88304-01	1- (4-Acetyl-2,5-dibromophenyl) ethanone
PYB33141	(2,5-Dibromophenyl) methanamine
ZCA53321-01	2- (2,5-Dibromophenyl) acetonitrile
DYB66038-01	2- (2,5-Dibromophenyl) ethan-1-ol
JCD76712-01	3- (3,5-Dibromophenyl) -1,2,4-oxadiazol-5-ol
KCD41470-01	5-Chloro-3- (3,5-dibromophenyl) -1,2,4-oxadiazole
JCA30317-01	1- (5-Methylthiazol-2-yl) ethanone
FH176716	1- (5-hydroxypyridin-2-yl) ethanone
ANA79684-01	1- (5-Methoxypyridin-2-yl) ethanone
CVB42281-01	1- (2-bromo-5-hydroxyphenyl) ethanone

Catalog	Name
FH TL 00L1-01	1- (4-acetyl-2,5-dibromophenyl) ethanone
OR1095359-01	1- (2,6-dibromophenyl) ethanone
OR82669-01	1- (4-Bromo-2-hydroxyphenyl) -2- (2,5-dibromophenyl) ethanone
OR77245-01	1- (3,4-Dibromophenyl) ethanone
258933-01	5-Acetyloxyethyl-2-hydroxyphenyl ethanone
158261	1- (2,5-Dihydroxyphenyl) ethanone
TRC-D454450-10G	1-(2,5-Dihydroxyphenyl)ethanone
TRC-A187465-50MG	5-Acetyloxyethyl-2-hydroxypheny Ethanone
RG-D090560-01	1- (2,5-Dimethylphenyl) Ethanone
sc-341602A	2-chloro-1- (2,5-diethylphenyl) ethanone