名称: ethyl 3-[(4-bromo-2-methylphenyl)amino]-2-bromo-2-methyl-3-oxopropanoate
SMILES:
CCOC(=O)C(C)(Br)C(=O)Nc1ccc(Br)cc1CMolecular Processing
Molecular formula
C13H15Br2NO3
Molecular weight
393.08
Exact mass
390.9419
XLogP
3.41
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
81.47
Supplementary Information
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