2,5-dibromophenol

CAT: 1731-FH 1W 0050-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1731-FH 1W 0050-03Size:10 mg

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CAS Number

28165-52-8

MDL Number

MFCD01851373

Purity

0.95

Smiles

Oc1cc (Br) ccc1Br

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

2,5-Dibromophenol

CAS Number	28165-52-8
PubChem CID	34177
IUPAC Name	2,5-dibromophenol
Molecular Formula	C6H4Br2O
Molecular Weight	251.90
XLogP	3.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	97

SMILES

C1=CC(=C(C=C1Br)O)Br

InChI

InChI=1S/C6H4Br2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChIKey

GUXWVUVLXIJHQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28165-52-8

CID: 34177

Formula: C6H4Br2O

MW: 251.90

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.90
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	251.86084
Monoisotopic Mass	249.86289
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
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
FH 1W 043A-01	N- (2,5-dibromophenyl) acetamide
FH TL 00L1-01	1- (4-acetyl-2,5-dibromophenyl) ethanone
AL BW 0819-01	(3,5-dibromophenyl) methanamine
AL BK 0770-01	(E) -3- (3,5-dibromophenyl) prop-2-enoic acid
AQ A2 0030-01	2,2,5,5-tetramethylhexan-3-one
AQ A1 0021-01	2,2,3,5,5-pentamethylhexan-3-ol
AP KN 0203-01	2,5-dimethylhex-3-yne-2,5-diol
FH 1W 0043-01	2,5-dibromoaniline
AQ NN 0290-01	2,5-diphenylpyrimidine
GT SW 0579-01	2- (2-aminoethyl) -5-bromophenol