3-(2-chlorophenoxymethyl)phenylboronic acid

3-(2-chlorophenoxymethyl)phenylboronic acid

CAS: 1256358-67-4

Formula: C13H12BClO3

SMILES: OB(O)C1=CC(COC2=CC=CC=C2Cl)=CC=C1

IUPAC: {3-[(2-chlorophenoxy)methyl]phenyl}boronic acid

InChI: InChI=1S/C13H12BClO3/c15-12-6-1-2-7-13(12)18-9-10-4-3-5-11(8-10)14(16)17/h1-8,16-17H,9H2

Composition: C (59.48%), H (4.61%), B (4.12%), Cl (13.50%), O (18.28%)

Molar Mass: 262.5

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	262.056802
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BQZSATLDHKVMHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.48
Topological Polar Surface Area	49.69
Polarizability	27.52
Ring Count	2
Rotatable Bond Count	4

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