U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H7ClO3
Molecular Weight 210.614
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Chloromethyl)-7-hydroxy-2-benzopyrone

SMILES

OC1=CC=C2C=C(CCl)C(=O)OC2=C1

InChI

InChIKey=VDQNCLDHHFTJDG-UHFFFAOYSA-N
InChI=1S/C10H7ClO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H,5H2

HIDE SMILES / InChI

Molecular Formula C10H7ClO3
Molecular Weight 210.614
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 18:48:19 GMT 2023
Edited
by admin
on Sat Dec 16 18:48:19 GMT 2023
Record UNII
XCB2HQ9L9W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Chloromethyl)-7-hydroxy-2-benzopyrone
Systematic Name English
3-(Chloromethyl)-7-hydroxy-2H-1-benzopyran-2-one
Systematic Name English
2H-1-Benzopyran-2-one, 3-(chloromethyl)-7-hydroxy-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60915747
Created by admin on Sat Dec 16 18:48:19 GMT 2023 , Edited by admin on Sat Dec 16 18:48:19 GMT 2023
PRIMARY
FDA UNII
XCB2HQ9L9W
Created by admin on Sat Dec 16 18:48:19 GMT 2023 , Edited by admin on Sat Dec 16 18:48:19 GMT 2023
PRIMARY
CAS
94279-06-8
Created by admin on Sat Dec 16 18:48:19 GMT 2023 , Edited by admin on Sat Dec 16 18:48:19 GMT 2023
PRIMARY
PUBCHEM
44149097
Created by admin on Sat Dec 16 18:48:19 GMT 2023 , Edited by admin on Sat Dec 16 18:48:19 GMT 2023
PRIMARY