3,5-Dibromophenylboronic acid

CAT: 0926-FD33437-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FD33437-01Size:50 g

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CAS Number

117695-55-3

MDL Number

MFCD01075725

Smiles

B (C1=CC (=CC (=C1) Br) Br) (O) O

Molecular Formula

C6H5BBr2O2

Molecular Weight

279.72 g/mol

Controlled

Chemical Information

3,5-Dibromobenzeneboronic acid

CAS Number	117695-55-3
PubChem CID	2734689
IUPAC Name	(3,5-dibromophenyl)boronic acid
Molecular Formula	C6H5BBr2O2
Molecular Weight	279.72
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	124

SMILES

B(C1=CC(=CC(=C1)Br)Br)(O)O

InChI

InChI=1S/C6H5BBr2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H

InChIKey

WQBLCGDZYFKINX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117695-55-3

CID: 2734689

Formula: C6H5BBr2O2

MW: 279.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.72
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	279.87289
Monoisotopic Mass	277.87493
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	124
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
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FT28152-01	3,5,3',5'-Tetraiodo thyrolactic acid
FT35076-01	3,5,3',5' -Tetraiodo thyromandelic acid
ZEA48095	3,5-Diethoxybenzoic acid
FD70631-01	3,5-Dimethoxycinnamic acid
FD70560-01	3,5-Dibromoanthranilic acid
FD70413-01	3,5-Dihydroxyphenylacetic acid
FD67672-01	3,5-Dimethylanthranilic acid

Catalog	Name
273254-01	3,5-Dibromophenylboronic acid
OR350147-01	2,5-Dibromophenylboronic acid
426932-01	3,4-Dibromophenylboronic acid
419601-01	2,3-Dibromophenylboronic acid
426933-01	3,4-Dibromophenylboronic acid, pinacol ester
sc-231158	2,6-Dibromophenylboronic acid
sc-231969C	3,3',5,5'-Tetraiodothyroacetic acid
OR936533-01	3,5,5-Trimethylhexanoic acid
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
147-AAT	Cyanine 3.5 acid [equivalent to Cy3.5® acid]