2-(dimethylamino)phenylboronic acid hydrochloride

2-(dimethylamino)phenylboronic acid hydrochloride

CAS: 1315335-14-8

Formula: C8H13BClNO2

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

IUPAC: [2-(dimethylamino)phenyl]boronic acid hydrochloride

InChI: InChI=1S/C8H12BNO2.ClH/c1-10(2)8-6-4-3-5-7(8)9(11)12;/h3-6,11-12H,1-2H3;1H

Composition: C (47.70%), H (6.50%), B (5.37%), Cl (17.60%), N (6.95%), O (15.88%)

Molar Mass: 201.46

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.072786
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QSGXTHOTZGCZSJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.03
Topological Polar Surface Area	43.7
Polarizability	18.35
Ring Count	1
Rotatable Bond Count	2

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