CC(CN1N=C2C=C(C=C(C2=N1)Cl)Cl)(C#N)N
Name: 2-amino-3-(4,6-dichlorobenzotriazol-2-yl)-2-methylpropanenitrile
SMILES: CC(CN1N=C2C=C(C=C(C2=N1)Cl)Cl)(C#N)N

Molecular Processing

Molecular formula
C10H9Cl2N5
Molecular weight
270.12
Exact mass
269.0235
XLogP
1.98
TPSA
80.52
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
65.75

Supplementary Information

InChIKey: PEBFHXRAPRJATN-UHFFFAOYSA-N
Synonyme
SCHEMBL202566PEBFHXRAPRJATN-UHFFFAOYSA-N2-Amino-3-(4,6-dichloro-2H-benzotriazol-2-yl)-2-methylpropionitrile
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