Nombre: 3-amino-2,5-dichloro-4-methylbenzoic acid
SMILES:
CC1=C(C=C(C(=C1N)Cl)C(=O)O)ClMolecular Processing
Molecular formula
C8H7Cl2NO2
Molecular weight
220.06
Exact mass
218.9854
XLogP
2.58
TPSA
63.32
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
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
52.57
Supplementary Information
InChIKey: GNHSDMHNFHQLDD-UHFFFAOYSA-N
Sinónimos
SCHEMBL10625931GNHSDMHNFHQLDD-UHFFFAOYSA-N3-amino-2,5-dichloro-4-methylbenzoic acid
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