Название: methyl 7-bromo-5-heptynoate
SMILES:
COC(=O)CCCC#CCBrMolecular Processing
Molecular formula
C8H11BrO2
Molecular weight
219.08
Exact mass
217.9942
XLogP
1.73
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
47.44
Supplementary Information
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