1,5-difluoro-2-methyl-4-nitrobenzene

1,5-difluoro-2-methyl-4-nitrobenzene

CAS: 179011-38-2

Formula: C7H5F2NO2

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

IUPAC: 1,5-difluoro-2-methyl-4-nitrobenzene

InChI: InChI=1S/C7H5F2NO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3

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	BVVAZYONIKSNFT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.85
Topological Polar Surface Area	43.14
Polarizability	13.58
Ring Count	1
Rotatable Bond Count	1

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