4-methyl-1-nitro-2-(trifluoromethyl)benzene

4-methyl-1-nitro-2-(trifluoromethyl)benzene

CAS: 87617-21-8

Formula: C8H6F3NO2

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

IUPAC: 4-methyl-1-nitro-2-(trifluoromethyl)benzene

InChI: InChI=1S/C8H6F3NO2/c1-5-2-3-7(12(13)14)6(4-5)8(9,10)11/h2-4H,1H3

Composition: C (46.84%), H (2.95%), F (27.78%), N (6.83%), O (15.60%)

Molar Mass: 205.136

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.035062926
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XEQAJBVCRSOQEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.39
Topological Polar Surface Area	43.14
Polarizability	15.34
Ring Count	1
Rotatable Bond Count	2

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