Nombre: 2-amino-5-nitro-4-trifluoromethyl-benzoic acid
SMILES:
Nc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C(=O)OMolecular Processing
Molecular formula
C8H5F3N2O4
Molecular weight
250.13
Exact mass
250.0201
XLogP
1.89
TPSA
106.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
49.47
Supplementary Information
Obteniendo detalles…
Participa en 6 reacciones→