Name: 2-amino-3-(4,6-dibromo-5,7-dichloro-2H-benzotriazol-2-yl)-2-methylpropionitrile
SMILES:
CC(N)(C#N)Cn1nc2c(Cl)c(Br)c(Cl)c(Br)c2n1Molecular Processing
Molecular formula
C10H7Br2Cl2N5
Molecular weight
427.92
Exact mass
424.8445
XLogP
3.5
TPSA
80.52
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
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
0.3
Molar refractivity
81.15
Supplementary Information
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