C1=CC(=C(C=C1C(F)(F)F)N)Cl
CAS: 121-50-6
Name: 2-chloro-5-(trifluoromethyl)aniline
SMILES: C1=CC(=C(C=C1C(F)(F)F)N)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: VKTTYIXIDXWHKW-UHFFFAOYSA-N
Synonyms
2-Chloro-5-(trifluoromethyl)aniline3-Amino-4-chlorobenzotrifluoride121-50-6Benzenamine, 2-chloro-5-(trifluoromethyl)-Fast Orange Salt RDOrange Salt NRDDaito Orange Salt RDDiazo Fast Orange RDFast Orange Salt RDAFast Orange Salt RDNFast Orange RD SaltSanyo Fast Orange Salt RD4-Chloro-3-aminobenzotrifluorideAzoene Fast Orange RD SaltUSAF MA-13Hiltosal Fast Orange RD Salt6-Chloro-3-(trifluoromethyl)anilineNSC 10318C.I. 37050CCRIS 2816EINECS 204-475-7BRN 0879910AI3-261833-Amino-4-chloro-alpha,alpha,alpha-trifluorotoluenem-TOLUIDINE, 6-CHLORO-alpha,alpha,alpha-TRIFLUORO-DTXSID10595254-12-00-01852 (Beilstein Handbook Reference)RefChem:561684DTXCID0033671InChI=1/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H
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