이름: 5-chloro-4,7-dimethyl-1H-benzotriazole
SMILES:
Cc1c(Cl)cc(C)c2[nH]nnc12Molecular Processing
Molecular formula
C8H8ClN3
Molecular weight
181.63
Exact mass
181.0407
XLogP
2.23
TPSA
41.57
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
48.37
Supplementary Information
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