2-amino-6-nitrobenzonitrile

2-amino-6-nitrobenzonitrile

CAS: 63365-23-1

Formula: C7H5N3O2

SMILES: NC1=C(C#N)C(=CC=C1)[N+]([O-])=O

IUPAC: 2-amino-6-nitrobenzonitrile

InChI: InChI=1S/C7H5N3O2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,9H2

Composition: C (51.54%), H (3.09%), N (25.76%), O (19.61%)

Molar Mass: 163.136

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	163.038176413
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FEEQTCIVZQOKMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.8
Topological Polar Surface Area	92.95
Polarizability	15.23
Ring Count	1
Rotatable Bond Count	1

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