4-Chlorophenylboronic acid

CAT: 0024-sc-254651Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254651Size:1 g

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CAS Number

1679-18-1

Chemical Information

4-Chlorophenylboronic acid

CAS Number	1679-18-1
PubChem CID	74299
IUPAC Name	(4-chlorophenyl)boronic acid
Molecular Formula	C6H6BClO2
Molecular Weight	156.38
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	102

SMILES

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

InChI

InChI=1S/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H

InChIKey

CAYQIZIAYYNFCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1679-18-1

CID: 74299

Formula: C6H6BClO2

MW: 156.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.38
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	156.0149373
Monoisotopic Mass	156.0149373
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	102
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
sc-290102A	4-Carbamoyl-3-chlorophenylboronic acid
sc-290269A	4-Ethoxycarbonyl-3-chlorophenylboronic acid
sc-290102	4-Carbamoyl-3-chlorophenylboronic acid
sc-252138	4-Butoxy-3-chlorophenylboronic acid
sc-252125	4-Benzyloxy-3-chlorophenylboronic acid
sc-290104A	4-Carboxy-2-chlorophenylboronic acid
sc-290104	4-Carboxy-2-chlorophenylboronic acid
sc-290269	4-Ethoxycarbonyl-3-chlorophenylboronic acid
sc-254221	2-Chlorophenylboronic acid
sc-256489	3-Chlorophenylboronic acid

Catalog	Name
FC08281-01	4-Chlorophenylboronic acid
431900-01	4-Chlorophenylboronic acid, pinacol ester
431374-01	4-Carboxy-3-chlorophenylboronic acid
431366-01	4-Carboxy-2-chlorophenylboronic acid
430437-01	4-Benzyloxy-3-chlorophenylboronic acid
424737-01	3-Butoxy-4-chlorophenylboronic acid
423775-01	3-Amino-4-chlorophenylboronic acid
OR360681-01	3-Benzyloxy-4-chlorophenylboronic acid
OR360775-01	4-Bromo-2-chlorophenylboronic acid
430422-01	4-Benzyloxy-2-chlorophenylboronic acid