2-amino-3-(5,6-dichloro-2H-benzotriazol-2-yl)-2-methylpropionitrile

HCID 66619862
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Basic information

Standard SMILES
CC(N)(C#N)Cn1nc2cc(Cl)c(Cl)cc2n1
InChIKey
QOPTWUVUKNYPFC-UHFFFAOYSA-N
Molecular formula
C10H9Cl2N5
Average molar mass
270.12 g/mol

Names & identifiers

Preferred name
2-amino-3-(5,6-dichloro-2H-benzotriazol-2-yl)-2-methylpropionitrile
IUPAC
2-amino-3-(5,6-dichlorobenzotriazol-2-yl)-2-methylpropanenitrile

Names & synonyms

SCHEMBL202384QOPTWUVUKNYPFC-UHFFFAOYSA-N2-amino-3-(5,6-dichloro-2H-benzotriazol-2-yl)-2-methylpropionitrile

Database identifiers

PubChem CID
66619862

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
80.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Related reactions

5 records
New reaction record

Compound notes

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