Name: 2-amino-3-(4-chloro-6-trifluoromethyl-2H-benzotriazol-2-yl)-2-methylpropionitrile
SMILES:
CC(N)(C#N)Cn1nc2cc(C(F)(F)F)cc(Cl)c2n1Molecular Processing
Molecular formula
C11H9ClF3N5
Molecular weight
303.68
Exact mass
303.0499
XLogP
2.34
TPSA
80.52
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
65.75
Supplementary Information
Details werden geladen…
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