2-amino-3-(6-chloro-4-trifluoromethyl-2H-benzotriazol-2-yl)-2-methylpropionitrile

HCID 66620161
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Basic information

Standard SMILES
CC(N)(C#N)Cn1nc2cc(Cl)cc(C(F)(F)F)c2n1
InChIKey
BRYNAZBLTFEQJA-UHFFFAOYSA-N
Molecular formula
C11H9ClF3N5
Average molar mass
303.67 g/mol

Names & identifiers

Preferred name
2-amino-3-(6-chloro-4-trifluoromethyl-2H-benzotriazol-2-yl)-2-methylpropionitrile
IUPAC
2-amino-3-[6-chloro-4-(trifluoromethyl)benzotriazol-2-yl]-2-methylpropanenitrile

Names & synonyms

2-amino-3-(6-chloro-4-trifluoromethyl-2H-benzotriazol-2-yl)-2-methylpropionitrileSCHEMBL203350

Database identifiers

PubChem CID
66620161

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
80.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
20

Related reactions

10 records
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Compound notes

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