이름: 2-bromobutyric acid
SMILES:
CCC(Br)C(=O)OMolecular Processing
Molecular formula
C4H7BrO2
Molecular weight
167
Exact mass
165.9629
XLogP
1.24
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
30.64
Supplementary Information
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