Clc1ccc(C#CCBr)cc1
Name: [3-(4-chlorophenyl)-prop-2-ynyl]-bromide
SMILES: Clc1ccc(C#CCBr)cc1

Molecular Processing

Molecular formula
C9H6BrCl
Molecular weight
229.5
Exact mass
227.9341
XLogP
3.09
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
52.12

Supplementary Information

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