名称: α,β-dibromo-β-(3-chloro-4-cyclohexyl)propionate
SMILES:
O=C([O-])C(Br)C(Br)C1CCCCC1ClMolecular Processing
Molecular formula
C9H12Br2ClO2-
Molecular weight
347.45
Exact mass
344.8898
XLogP
2.06
TPSA
40.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
62.04
Supplementary Information
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