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Details

Stereochemistry ACHIRAL
Molecular Formula C15H9ClO2
Molecular Weight 256.684
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-CHLOROPHENYL)-2H-1-BENZOPYRAN-2-ONE

SMILES

ClC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O

InChI

InChIKey=BNYLKZRNTGQYAY-UHFFFAOYSA-N
InChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H

HIDE SMILES / InChI

Molecular Formula C15H9ClO2
Molecular Weight 256.684
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 05:32:52 GMT 2023
Edited
by admin
on Sat Dec 16 05:32:52 GMT 2023
Record UNII
6751Q41AOC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-CHLOROPHENYL)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
3-(P-CHLOROPHENYL)COUMARIN
Common Name English
2H-1-BENZOPYRAN-2-ONE, 3-(4-CHLOROPHENYL)-
Systematic Name English
NSC-17956
Code English
COUMARIN, 3-(P-CHLOROPHENYL)-
Common Name English
Code System Code Type Description
NSC
17956
Created by admin on Sat Dec 16 05:32:52 GMT 2023 , Edited by admin on Sat Dec 16 05:32:52 GMT 2023
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CAS
10465-91-5
Created by admin on Sat Dec 16 05:32:52 GMT 2023 , Edited by admin on Sat Dec 16 05:32:52 GMT 2023
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EPA CompTox
DTXSID90146628
Created by admin on Sat Dec 16 05:32:52 GMT 2023 , Edited by admin on Sat Dec 16 05:32:52 GMT 2023
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PUBCHEM
226966
Created by admin on Sat Dec 16 05:32:52 GMT 2023 , Edited by admin on Sat Dec 16 05:32:52 GMT 2023
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CHEBI
79706
Created by admin on Sat Dec 16 05:32:52 GMT 2023 , Edited by admin on Sat Dec 16 05:32:52 GMT 2023
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FDA UNII
6751Q41AOC
Created by admin on Sat Dec 16 05:32:52 GMT 2023 , Edited by admin on Sat Dec 16 05:32:52 GMT 2023
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