Nombre: methyl 1-bromocyclohexanecarboxylate
SMILES:
COC(=O)C1(Br)CCCCC1Molecular Processing
Molecular formula
C8H13BrO2
Molecular weight
221.09
Exact mass
220.0099
XLogP
2.26
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
46.76
Supplementary Information
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