2-chloro-5-methyl-4-nitropyridin-1-ium-1-olate

2-chloro-5-methyl-4-nitropyridin-1-ium-1-olate

CAS: 60323-96-8

Formula: C6H5ClN2O3

SMILES: CC1=C[N+]([O-])=C(Cl)C=C1[N+]([O-])=O

IUPAC: 2-chloro-5-methyl-4-nitropyridin-1-ium-1-olate

InChI: InChI=1S/C6H5ClN2O3/c1-4-3-8(10)6(7)2-5(4)9(11)12/h2-3H,1H3

Composition: C (38.22%), H (2.67%), Cl (18.80%), N (14.86%), O (25.45%)

Molar Mass: 188.57

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.9988697
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DXJQKWNJVPTPSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.38
Topological Polar Surface Area	70.08
Polarizability	15.71
Ring Count	1
Rotatable Bond Count	1

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