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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9BrO3
Molecular Weight 269.091
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Bromomethyl-7-methoxycoumarin

SMILES

COC1=CC2=C(C=C1)C(CBr)=CC(=O)O2

InChI

InChIKey=CTENSLORRMFPDH-UHFFFAOYSA-N
InChI=1S/C11H9BrO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H9BrO3
Molecular Weight 269.091
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 09:51:34 GMT 2023
Edited
by admin
on Sat Dec 16 09:51:34 GMT 2023
Record UNII
4K32PB5K8Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Bromomethyl-7-methoxycoumarin
Systematic Name English
4-(bromomethyl)-7-methoxychromen-2-one
Systematic Name English
2H-1-Benzopyran-2-one, 4-(bromomethyl)-7-methoxy-
Systematic Name English
4-(Bromomethyl)-7-methoxy-2H-1-benzopyran-2-one
Systematic Name English
4-Bromomethyl-7-methoxy-2-oxo-2H-benzopyran
Systematic Name English
Code System Code Type Description
FDA UNII
4K32PB5K8Q
Created by admin on Sat Dec 16 09:51:34 GMT 2023 , Edited by admin on Sat Dec 16 09:51:34 GMT 2023
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PUBCHEM
121894
Created by admin on Sat Dec 16 09:51:34 GMT 2023 , Edited by admin on Sat Dec 16 09:51:34 GMT 2023
PRIMARY
CAS
35231-44-8
Created by admin on Sat Dec 16 09:51:34 GMT 2023 , Edited by admin on Sat Dec 16 09:51:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
252-448-3
Created by admin on Sat Dec 16 09:51:34 GMT 2023 , Edited by admin on Sat Dec 16 09:51:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID70188723
Created by admin on Sat Dec 16 09:51:34 GMT 2023 , Edited by admin on Sat Dec 16 09:51:34 GMT 2023
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