(2,3,6-Trichlorophenyl) boronic acid

CAT: 0926-BJB75653-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-BJB75653-01Size:0.1 g

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CAS Number

851756-53-1

MDL Number

MFCD18400154

Smiles

B (C1=C (C=CC (=C1Cl) Cl) Cl) (O) O

Molecular Formula

C6H4BCl3O2

Molecular Weight

225.3 g/mol

Controlled

Chemical Information

(2,3,6-Trichlorophenyl)boronic acid

CAS Number	851756-53-1
PubChem CID	86048756
IUPAC Name	(2,3,6-trichlorophenyl)boronic acid
Molecular Formula	C6H4BCl3O2
Molecular Weight	225.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	158

SMILES

B(C1=C(C=CC(=C1Cl)Cl)Cl)(O)O

InChI

InChI=1S/C6H4BCl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H

InChIKey

AOPIKELJCFCNCK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 851756-53-1

CID: 86048756

Formula: C6H4BCl3O2

MW: 225.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	223.936993
Monoisotopic Mass	223.936993
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
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
EBA27700-01	2- (2,4,6-Trichlorophenyl) acetic acid
FC55773-01	6-Chloro-2-fluoropyridine-3-boronic acid
KCC40470-01	(6-Chloro-2,3-difluorophenyl) boronic acid
KZA28639-01	(2,6-Diethylphenyl) boronic acid
BIC39213-01	(6-Fluoro-2,3-dimethoxyphenyl) boronic acid
RJB33218-01	2-Methylbenzothiazole-6-boronic acid
YGA19495	6-Hydroxynaphthalene-2-boronic acid
JMA97794-01	(3-Fluoro-2,6-dimethoxyphenyl) boronic acid
FM160547	6-Methoxypyridine-2-boronic acid
EAA52565-01	2,4,6-Trichlorophenyl Formate

Catalog	Name
274339-01	2,6-Dimethoxypyridine-3-boronic acid
abx183036-01	2,6-Difluoropyridine-3-Boronic Acid
OR361168-01	2,6-Dimethylpyridine-3-boronic acid
OR361097	2,6-Dibromopyridine-3-boronic acid
420809-01	2,6-Dichloropyridine-3-boronic acid
CSB-DT4621	2,6-Diethoxypyridine-3- boronic acid
OR1095931	2,6-Diethoxypyridine-3-boronic acid
247564-71-2-01	(2,3,6-Trifluorophenyl) boronic acid
438450-01	6-Chloropyridine-2-boronic acid
437910-01	6-Benzyloxynaphthalene-2-boronic acid