4-aminobenzene-1,3-diol hydrochloride

4-aminobenzene-1,3-diol hydrochloride

CAS: 34781-86-7

Formula: C6H8ClNO2

SMILES: Cl.NC1=CC=C(O)C=C1O

IUPAC: 4-aminobenzene-1,3-diol hydrochloride

InChI: InChI=1S/C6H7NO2.ClH/c7-5-2-1-4(8)3-6(5)9;/h1-3,8-9H,7H2;1H

Composition: C (44.60%), H (4.99%), Cl (21.94%), N (8.67%), O (19.80%)

Molar Mass: 161.59

Atom Count: 18

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	161.0243562
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	LLJMPRKYLLJAEB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.72
Topological Polar Surface Area	66.48
Polarizability	12.69
Ring Count	1
Rotatable Bond Count	0

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