3-chloro-4-formylphenylboronic acid

3-chloro-4-formylphenylboronic acid

CAS: 1072952-53-4

Formula: C7H6BClO3

SMILES: OB(O)C1=CC(Cl)=C(C=O)C=C1

IUPAC: (3-chloro-4-formylphenyl)boronic acid

InChI: InChI=1S/C7H6BClO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H

Composition: C (45.60%), H (3.28%), B (5.86%), Cl (19.23%), O (26.03%)

Molar Mass: 184.38

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.009852
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KDIYVLXLPNHJRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.99
Topological Polar Surface Area	57.53
Polarizability	17.36
Ring Count	1
Rotatable Bond Count	2

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