3'-Chloroisoflavone

HCID 24720232
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Basic information

Standard SMILES
O=c1c(-c2cccc(Cl)c2)coc2ccccc12
InChIKey
DZUXROBXPBCGFE-UHFFFAOYSA-N
Molecular formula
C15H9ClO2
Average molar mass
256.68 g/mol
Monoisotopic mass
256.0291072

Names & identifiers

Preferred name
3'-Chloroisoflavone
IUPAC
3-(3-chlorophenyl)chromen-4-one

Names & synonyms

3'-chloroisoflavoneSCHEMBL3495399DZUXROBXPBCGFE-UHFFFAOYSA-N

Database identifiers

PubChem CID
24720232

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
18

Related reactions

1 records
New reaction record

Compound notes

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