1-(5-Chlorobenzotriazol-1-yl)-propan-2-one

HCID 22020253
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Cn1nnc2cc(Cl)ccc21
InChIKey
GVTWIEGWFWKJFB-UHFFFAOYSA-N
Molecular formula
C9H8ClN3O
Average molar mass
209.63 g/mol

Names & identifiers

Preferred name
1-(5-Chlorobenzotriazol-1-yl)-propan-2-one
IUPAC
1-(5-chlorobenzotriazol-1-yl)propan-2-one

Names & synonyms

SCHEMBL204056GVTWIEGWFWKJFB-UHFFFAOYSA-N1-(5-chlorobenzotriazol-1-yl)-propan-2-one

Database identifiers

PubChem CID
22020253

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
47.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Related reactions

2 records
New reaction record

Linked notes

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