Name: 4-{[(2-bromoethyl)oxy]methyl}benzonitrile
SMILES:
N#Cc1ccc(COCCBr)cc1Molecular Processing
Molecular formula
C10H10BrNO
Molecular weight
240.1
Exact mass
238.9946
XLogP
2.47
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
54.61
Supplementary Information
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