1,5-difluoro-2-methyl-3-nitrobenzene

1,5-difluoro-2-methyl-3-nitrobenzene

CAS: 1188412-98-7

Formula: C7H5F2NO2

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

IUPAC: 1,5-difluoro-2-methyl-3-nitrobenzene

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