Name: 4-(Methoxycarbonyl)benzoic acid
SMILES:
CCOc1c(Br)cc(NC(=O)c2ccc(C(=O)OC)cc2)cc1BrMolecular Processing
Molecular formula
C17H15Br2NO4
Molecular weight
457.12
Exact mass
454.9368
XLogP
4.65
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
98.75
Supplementary Information
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