3-amino-4-chlorophenylboronic acid hydrochloride

3-amino-4-chlorophenylboronic acid hydrochloride

CAS: 850568-45-5

Formula: C6H8BCl2NO2

SMILES: Cl.NC1=C(Cl)C=CC(=C1)B(O)O

IUPAC: (3-amino-4-chlorophenyl)boronic acid hydrochloride

InChI: InChI=1S/C6H7BClNO2.ClH/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3,10-11H,9H2;1H

Composition: C (34.67%), H (3.88%), B (5.20%), Cl (34.11%), N (6.74%), O (15.40%)

Molar Mass: 207.85

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.002514
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	MTMLYYSBEQYCDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.11
Topological Polar Surface Area	66.48
Polarizability	16.58
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<14 Days	850568-45-5		$94.50-$354.38$94.50$354.38