4-(carbonochloridoyl)phenylboronic acid

4-(carbonochloridoyl)phenylboronic acid

CAS: 332154-57-1

Formula: C7H6BClO3

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

IUPAC: [4-(carbonochloridoyl)phenyl]boronic acid

InChI: InChI=1S/C7H6BClO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/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	ARKQVAQLGLIPAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.72
Topological Polar Surface Area	57.53
Polarizability	17.33
Ring Count	1
Rotatable Bond Count	2

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