Name: 2-bromobenzoyl isothiocyanate
SMILES:
O=C(N=C=S)c1ccccc1BrMolecular Processing
Molecular formula
C8H4BrNOS
Molecular weight
242.1
Exact mass
240.9197
XLogP
2.69
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
53.5
Supplementary Information
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