이름: 4-bromophenylisothiocyanate
SMILES:
S=C=Nc1ccc(Br)cc1Molecular Processing
Molecular formula
C7H4BrNS
Molecular weight
214.09
Exact mass
212.9248
XLogP
3.18
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
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
Molar refractivity
48.83
Supplementary Information
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