NC(=O)c1ccc(CCBr)cc1
Name: 4-carbamoylphenethyl bromide
SMILES: NC(=O)c1ccc(CCBr)cc1

Molecular Processing

Molecular formula
C9H10BrNO
Molecular weight
228.09
Exact mass
226.9946
XLogP
1.72
TPSA
43.09
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
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
0.222
Molar refractivity
52.46

Supplementary Information

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