C1=CC(=C(C=C1C(F)(F)F)C#N)N
CAS: 6526-08-5
Nombre: 2-amino-5-(trifluoromethyl)benzonitrile
SMILES: C1=CC(=C(C=C1C(F)(F)F)C#N)N

Molecular Processing

Molecular formula
C8H5F3N2
Molecular weight
186.14
Exact mass
186.0405
XLogP
2.16
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
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
0.125
Molar refractivity
40.57

Supplementary Information

InChIKey: ZLCIALUBLCAXPL-UHFFFAOYSA-N
Sinónimos
4-Amino-3-cyanobenzotrifluorideRefChem:517791691-020-42-amino-5-(trifluoromethyl)benzonitrile6526-08-52-Amino-5-trifluoromethylbenzonitrile3-Cyano-4-aminobenzotrifluorideMFCD034074652-amino-5-(trifluoromethyl)benzenecarbonitrileBENZONITRILE, 2-AMINO-5-(TRIFLUOROMETHYL)-SCHEMBL165877SCHEMBL7817776SCHEMBL296464224-amino-3-cyano-benzotrifluorideDTXSID30504864CL8147SBB0642884-amino-3-cyano-trifluoromethylbenzene4-amino-3-cyanotrifluoromethyl-benzeneAKOS0050639122-Amino-5-trifluoromethyl-benzonitrileAB14048AC-2324CS-W019981FA64112PS-8481SY030904DB-005958EN300-127886F077683
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