COC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl
الاسم: 5-bromo-2-chloro-3-nitrobenzoic acid methyl ester
SMILES: COC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl

Molecular Processing

Molecular formula
C8H5BrClNO4
Molecular weight
294.49
Exact mass
292.909
XLogP
2.8
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
57.15

Supplementary Information

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