2-(chloromethyl)phenylboronic acid

2-(chloromethyl)phenylboronic acid

Formula: C7H8BClO2

SMILES: OB(O)C1=CC=CC=C1CCl

IUPAC: [2-(chloromethyl)phenyl]boronic acid

InChI: InChI=1S/C7H8BClO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H,5H2

Composition: C (49.34%), H (4.73%), B (6.34%), Cl (20.80%), O (18.78%)

Molar Mass: 170.4

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.030587
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ABSGABUWTFSKFE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.47
Topological Polar Surface Area	40.46
Polarizability	17.2
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C7H8BClO2		Quote Only