이름: 4-bromomethyl-2,3-difluorobenzoic acid methyl ester
SMILES:
COC(=O)c1ccc(CBr)c(F)c1FMolecular Processing
Molecular formula
C9H7BrF2O2
Molecular weight
265.05
Exact mass
263.9597
XLogP
2.65
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.33
Supplementary Information
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