2-chloro-4-nitro-1H-1,3-benzodiazole

2-chloro-4-nitro-1H-1,3-benzodiazole

CAS: 15965-55-6

Formula: C7H4ClN3O2

SMILES: [O-][N+](=O)C1=C2N=C(Cl)NC2=CC=C1

IUPAC: 2-chloro-4-nitro-1H-1,3-benzodiazole

InChI: InChI=1S/C7H4ClN3O2/c8-7-9-4-2-1-3-5(11(12)13)6(4)10-7/h1-3H,(H,9,10)

Composition: C (42.55%), H (2.04%), Cl (17.94%), N (21.27%), O (16.20%)

Molar Mass: 197.58

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	196.9992041
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IDHWSFVCVDTHNI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.31
Topological Polar Surface Area	71.82
Polarizability	18.53
Ring Count	2
Rotatable Bond Count	1

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