2-amino-6-fluoro-3-nitrobenzonitrile

2-amino-6-fluoro-3-nitrobenzonitrile

CAS: 1378862-33-9

Formula: C7H4FN3O2

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

IUPAC: 2-amino-6-fluoro-3-nitrobenzonitrile

InChI: InChI=1S/C7H4FN3O2/c8-5-1-2-6(11(12)13)7(10)4(5)3-9/h1-2H,10H2

Composition: C (46.42%), H (2.23%), F (10.49%), N (23.20%), O (17.67%)

Molar Mass: 181.126

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.028754544
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OLVYIQOIYHAYDU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.02
Topological Polar Surface Area	92.95
Polarizability	15.04
Ring Count	1
Rotatable Bond Count	1

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