CC(C(=O)OC)NC1=CC(=C(C=C1)Cl)Cl
Name: methyl (2S)-2-(3,4-dichloroanilino)propanoate
SMILES: CC(C(=O)OC)NC1=CC(=C(C=C1)Cl)Cl

Molecular Processing

Molecular formula
C10H11Cl2NO2
Molecular weight
248.11
Exact mass
247.0167
XLogP
2.97
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
61.56

Supplementary Information

InChIKey: RWLGYVZVMDJDAK-LURJTMIESA-N
Synonyme
SCHEMBL4417389RWLGYVZVMDJDAK-LURJTMIESA-NN-(3,4-dichlorophenyl)alanine Methyl Ester
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