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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H10BrNO2
Molecular Weight 316.149
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(4-BROMOBENZOYL)-1,3-DIHYDRO-2H-INDOL-2-ONE

SMILES

BrC1=CC=C(C=C1)C(=O)C2=CC=CC3=C2NC(=O)C3

InChI

InChIKey=JDSPXIPYMUGSIJ-UHFFFAOYSA-N
InChI=1S/C15H10BrNO2/c16-11-6-4-9(5-7-11)15(19)12-3-1-2-10-8-13(18)17-14(10)12/h1-7H,8H2,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C15H10BrNO2
Molecular Weight 316.149
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 11:02:24 GMT 2023
Edited
by admin
on Sat Dec 16 11:02:24 GMT 2023
Record UNII
Q7XLJ27ZJP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(4-BROMOBENZOYL)-1,3-DIHYDRO-2H-INDOL-2-ONE
Systematic Name English
AHR-10240
Code English
2H-INDOL-2-ONE, 7-(4-BROMOBENZOYL)-1,3-DIHYDRO-
Systematic Name English
Code System Code Type Description
FDA UNII
Q7XLJ27ZJP
Created by admin on Sat Dec 16 11:02:25 GMT 2023 , Edited by admin on Sat Dec 16 11:02:25 GMT 2023
PRIMARY
CAS
91713-91-6
Created by admin on Sat Dec 16 11:02:25 GMT 2023 , Edited by admin on Sat Dec 16 11:02:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID80440521
Created by admin on Sat Dec 16 11:02:25 GMT 2023 , Edited by admin on Sat Dec 16 11:02:25 GMT 2023
PRIMARY
PUBCHEM
10470993
Created by admin on Sat Dec 16 11:02:25 GMT 2023 , Edited by admin on Sat Dec 16 11:02:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY