3-chloro-4-nitropyridin-1-ium-1-olate

3-chloro-4-nitropyridin-1-ium-1-olate

CAS: 76439-45-7

Formula: C5H3ClN2O3

SMILES: [O-][N+](=O)C1=CC=[N+]([O-])C=C1Cl

IUPAC: 3-chloro-4-nitropyridin-1-ium-1-olate

InChI: InChI=1S/C5H3ClN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H

Composition: C (34.41%), H (1.73%), Cl (20.31%), N (16.05%), O (27.50%)

Molar Mass: 174.54

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.9832197
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MBHLTDWOVIYXEW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.34
Topological Polar Surface Area	70.08
Polarizability	13.95
Ring Count	1
Rotatable Bond Count	1

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