2-chloro-1-(nitromethyl)-4-(trifluoromethyl)benzene

2-chloro-1-(nitromethyl)-4-(trifluoromethyl)benzene

CAS: 1644-12-8

Formula: C8H5ClF3NO2

SMILES: [O-][N+](=O)CC1=CC=C(C=C1Cl)C(F)(F)F

IUPAC: 2-chloro-1-(nitromethyl)-4-(trifluoromethyl)benzene

InChI: InChI=1S/C8H5ClF3NO2/c9-7-3-6(8(10,11)12)2-1-5(7)4-13(14)15/h1-3H,4H2

Composition: C (40.11%), H (2.10%), Cl (14.80%), F (23.79%), N (5.85%), O (13.36%)

Molar Mass: 239.58

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.9960906
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UVCSIYOVUUEDRA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.97
Topological Polar Surface Area	43.14
Polarizability	17.46
Ring Count	1
Rotatable Bond Count	3

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