Nombre: Ethyl 3-bromo-2-methylbenzoic acid
SMILES:
CCc1ccc(C(=O)O)c(C)c1BrMolecular Processing
Molecular formula
C10H11BrO2
Molecular weight
243.1
Exact mass
241.9942
XLogP
3.02
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
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
0.3
Molar refractivity
55.22
Supplementary Information
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