SMILES:
CC(C)(C)C#CC=CCBrMolecular Processing
Molecular formula
C9H13Br
Molecular weight
201.11
Exact mass
200.0201
XLogP
2.99
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
50.17
Supplementary Information
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