1-(difluoromethyl)-3-nitrobenzene

1-(difluoromethyl)-3-nitrobenzene

CAS: 403-25-8

Formula: C7H5F2NO2

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

IUPAC: 1-(difluoromethyl)-3-nitrobenzene

InChI: InChI=1S/C7H5F2NO2/c8-7(9)5-2-1-3-6(4-5)10(11)12/h1-4,7H

Composition: C (48.57%), H (2.91%), F (21.95%), N (8.09%), O (18.48%)

Molar Mass: 173.119

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.028834731
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QOGPXSPKXMNSLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.46
Topological Polar Surface Area	43.14
Polarizability	13.69
Ring Count	1
Rotatable Bond Count	2

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