C1=CC(=C(C=C1N)C(F)(F)F)Cl
CAS: 320-51-4
Название: 4-chloro-3-(trifluoromethyl)aniline
SMILES: C1=CC(=C(C=C1N)C(F)(F)F)Cl

Molecular Processing

Molecular formula
C7H5ClF3N
Molecular weight
195.57
Exact mass
195.0063
XLogP
2.94
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
40.87

Supplementary Information

InChIKey: ASPDJZINBYYZRU-UHFFFAOYSA-N
Синонимы
4-Chloro-3-(trifluoromethyl)aniline5-Amino-2-chlorobenzotrifluoride2-Chloro-5-aminobenzotrifluorideBenzenamine, 4-chloro-3-(trifluoromethyl)-4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidineCCRIS 28156-Chloro-3-aminobenzotrifluorideEINECS 206-277-6NSC 61405UNII-000N5814MRCHEBI:59245NSC-61405000N5814MRDTXSID7059804ASPDJZINBYYZRU-UHFFFAOYSA-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)AMINE4-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLUIDINERefChem:98416DTXCID7038442ASPDJZINBYYZRU-UHFFFAOYSA-NInChI=1/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2320-51-43-(Trifluoromethyl)-4-chloroanilineACBTMFCD000078464-chloro-3-(trifluoromethyl)benzenamine4-Chloro-3-trifluoromethylanilineAniline, 4-chloro-3-(trifluoromethyl)-4-Chloro-3-(trifluoromethyl) anilineHydromorphone 3-Sulfate
Источник
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