C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)F
CAS: 400-74-8
Name: 1-fluoro-4-nitro-2-(trifluoromethyl)benzene
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)F

Molecular Processing

Molecular formula
C7H3F4NO2
Molecular weight
209.1
Exact mass
209.01
XLogP
2.75
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
38.06

Supplementary Information

InChIKey: DNTHMWUMRGOJRY-UHFFFAOYSA-N
Synonyme
2-Fluoro-5-nitrobenzotrifluoride400-74-8alpha,alpha,alpha-2-TetrafluorotolueneQLT47ACG6NNSC-10302DTXSID20193064RefChem:1063103DTXCID30115555206-925-81-Fluoro-4-nitro-2-(trifluoromethyl)benzeneMFCD00024576Benzene, 1-fluoro-4-nitro-2-(trifluoromethyl)-1-fluoro-4-nitro-2-trifluoromethyl-benzene1-fluoro-2-(trifluoromethyl)-4-nitrobenzene2-Fluor-5-Nitrobenzotrifluorid5-Nitro-alpha,alpha,alpha,2-tetrafluorotolueneNSC10302EINECS 206-925-8UNII-QLT47ACG6NSCHEMBL85544SCHEMBL9304210SCHEMBL286160412-fluoro-5-nitro benzotrifluoride2-fluoro-5-nitro-benzotrifluoride5-Nitro-a,a,a,2-tetrafluorotolueneNSC 10302SBB012410AKOS005063744CS-W015175FF37988
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