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Details

Stereochemistry ACHIRAL
Molecular Formula C15H9ClO4
Molecular Weight 288.683
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3-Chlorophenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

SMILES

OC1=CC(O)=C2C(=O)C(=COC2=C1)C3=CC=CC(Cl)=C3

InChI

InChIKey=NKDPIBPNSMKOPN-UHFFFAOYSA-N
InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,17-18H

HIDE SMILES / InChI

Molecular Formula C15H9ClO4
Molecular Weight 288.683
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:19:36 GMT 2023
Edited
by admin
on Sat Dec 16 15:19:36 GMT 2023
Record UNII
FT3V3J5647
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3-Chlorophenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Systematic Name English
3-(3-Chlorophenyl)-5,7-bis(oxidanyl)chromen-4-one
Systematic Name English
4H-1-Benzopyran-4-one, 3-(3-chlorophenyl)-5,7-dihydroxy-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10445847
Created by admin on Sat Dec 16 15:19:36 GMT 2023 , Edited by admin on Sat Dec 16 15:19:36 GMT 2023
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FDA UNII
FT3V3J5647
Created by admin on Sat Dec 16 15:19:36 GMT 2023 , Edited by admin on Sat Dec 16 15:19:36 GMT 2023
PRIMARY
CAS
62845-10-7
Created by admin on Sat Dec 16 15:19:36 GMT 2023 , Edited by admin on Sat Dec 16 15:19:36 GMT 2023
PRIMARY
PUBCHEM
10850934
Created by admin on Sat Dec 16 15:19:36 GMT 2023 , Edited by admin on Sat Dec 16 15:19:36 GMT 2023
PRIMARY