الاسم: methyl 2-bromo-4-methylbenzoate
SMILES:
COC(=O)c1ccc(C)cc1BrMolecular Processing
Molecular formula
C9H9BrO2
Molecular weight
229.07
Exact mass
227.9786
XLogP
2.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.22
Supplementary Information
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