1-(p-Nitrobenzoyloxy)-6-chloro-1,2,3-benzotriazole

HCID 20300007
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Basic information

Standard SMILES
O=C(On1nnc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1
InChIKey
ANVYCBVAOHTEGW-UHFFFAOYSA-N
Molecular formula
C13H7ClN4O4
Average molar mass
318.67 g/mol
Monoisotopic mass
318.0155824

Names & identifiers

Preferred name
1-(p-Nitrobenzoyloxy)-6-chloro-1,2,3-benzotriazole
IUPAC
(6-chlorobenzotriazol-1-yl) 4-nitrobenzoate

Names & synonyms

SCHEMBL11449891ANVYCBVAOHTEGW-UHFFFAOYSA-N1-(p-nitrobenzoyloxy)-6-chloro-1,2,3-benzotriazole

Database identifiers

PubChem CID
20300007

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
103 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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