4-amino-3-hydroxybenzonitrile hydrochloride

4-amino-3-hydroxybenzonitrile hydrochloride

CAS: 1332605-83-0

Formula: C7H7ClN2O

SMILES: Cl.NC1=C(O)C=C(C=C1)C#N

IUPAC: 4-amino-3-hydroxybenzonitrile hydrochloride

InChI: InChI=1S/C7H6N2O.ClH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,10H,9H2;1H

Composition: C (49.28%), H (4.14%), Cl (20.78%), N (16.42%), O (9.38%)

Molar Mass: 170.6

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.0246906
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QDCPSCRTSPIJTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.46
Topological Polar Surface Area	70.04
Polarizability	13.91
Ring Count	1
Rotatable Bond Count	0

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