2-(4-Chlorophenyl)-3-(1,2,4-triazol-1-yl)chroman-4-one

HCID 20030127
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Basic information

Standard SMILES
O=C1c2ccccc2OC(c2ccc(Cl)cc2)C1n1cncn1
InChIKey
VQGCSNRBEJHGIQ-UHFFFAOYSA-N
Molecular formula
C17H12ClN3O2
Average molar mass
325.7 g/mol

Names & identifiers

Preferred name
2-(4-Chlorophenyl)-3-(1,2,4-triazol-1-yl)chroman-4-one
IUPAC
2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one

Names & synonyms

SCHEMBL10563150VQGCSNRBEJHGIQ-UHFFFAOYSA-N2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)chroman-4-one2-(4-chlorophenyl)-2,3-dihydro-3-(1,2,4-triazol-1-yl)-benzopyran-4-one

Database identifiers

PubChem CID
20030127

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
57 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

Related reactions

2 records
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Compound notes

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