Name: 1-(4-bromobutyl)cyclobutane carboxylic acid methyl ester
SMILES:
COC(=O)C1(CCCCBr)CCC1Molecular Processing
Molecular formula
C10H17BrO2
Molecular weight
249.15
Exact mass
248.0412
XLogP
2.89
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
13
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
0.9
Molar refractivity
55.95
Supplementary Information
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