4-Chlorobenzeneboronic acid, catechol cyclic ester

CAT: 0127-OR14166Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

6113-62-8

Synonyms

2- (4-Chlorophenyl) benzo[1,3,2]dioxaborole

MDL Number

MFCD05863986

Purity

=95%

Smiles

Clc1ccc(cc1)B2Oc3ccccc3O2

Chemical Information

2-(4-Chlorophenyl)-1,3,2-benzodioxaborole

CAS Number	6113-62-8
PubChem CID	3255350
IUPAC Name	2-(4-chlorophenyl)-1,3,2-benzodioxaborole
Molecular Formula	C12H8BClO2
Molecular Weight	230.45
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	229

SMILES

B1(OC2=CC=CC=C2O1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C12H8BClO2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H

InChIKey

RDHAMZDLIGWSKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6113-62-8

CID: 3255350

Formula: C12H8BClO2

MW: 230.45

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.45
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	230.0305874
Monoisotopic Mass	230.0305874
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	229
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
OR30616-01	4-Chlorobenzeneboronic acid, pinacol ester
OR1336-01	3-Amino-4-chlorobenzeneboronic acid, pinacol ester
OR13797	4-Amino-3-chlorobenzeneboronic acid, pinacol ester
OR11450-01	2- (Bromomethyl) -4-chlorobenzeneboronic acid, pinacol ester
OR30619-01	2-Chlorobenzeneboronic acid, pinacol ester
OR18037	3-Carboxy-4-chlorobenzeneboronic acid, neopentyl glycol ester
OR9922	Benzeneboronic acid, catechol ester
OR5761	4- (Aminocarbonyl) -3-chlorobenzeneboronic acid
OR9342	3-Carboxy-4-chlorobenzeneboronic acid
OR5712-01	4-Carboxy-2-chlorobenzeneboronic acid

Catalog	Name
sc-224817	1-Propylboronic acid catechol ester
142172-51-8-01	4-Bromo-1-butylboronic acid catechol ester
sc-229683	(Z) -3-Hexenyl-3-boronic acid catechol ester
sc-256197	2-Methylbenzeneboronic acid, propanediol cyclic ester
sc-303793	1-Phenylvinylboronic acid, propanediol cyclic ester
sc-260125	2-Vinylbenzeneboronic acid, propanediol cyclic ester
128376-64-7-01	4-Formylphenylboronic acid pinacol cyclic ester
258406-01	2-Aminophenylboronic acid pinacol cyclic ester
sc-256176	2-Methoxybenzeneboronic acid, propanediol cyclic ester
420246-01	2,4-Difluorophenylboronic acid, propanediol cyclic ester