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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7N2O2
Molecular Weight 163.1534
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 2-(Methoxycarbonyl)benzenediazonium

SMILES

COC(=O)C1=CC=CC=C1[N+]#N

InChI

InChIKey=RIFBCJROYYDUNQ-UHFFFAOYSA-N
InChI=1S/C8H7N2O2/c1-12-8(11)6-4-2-3-5-7(6)10-9/h2-5H,1H3/q+1

HIDE SMILES / InChI

Molecular Formula C8H7N2O2
Molecular Weight 163.1534
Charge 1
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 20:17:27 UTC 2023
Edited
by admin
on Sat Dec 16 20:17:27 UTC 2023
Record UNII
RP89VE5RBD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Methoxycarbonyl)benzenediazonium
Systematic Name English
Benzenediazonium, 2-(methoxycarbonyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
RP89VE5RBD
Created by admin on Sat Dec 16 20:17:27 UTC 2023 , Edited by admin on Sat Dec 16 20:17:27 UTC 2023
PRIMARY
PUBCHEM
11118457
Created by admin on Sat Dec 16 20:17:27 UTC 2023 , Edited by admin on Sat Dec 16 20:17:27 UTC 2023
PRIMARY
CAS
45998-94-5
Created by admin on Sat Dec 16 20:17:27 UTC 2023 , Edited by admin on Sat Dec 16 20:17:27 UTC 2023
PRIMARY
Related Record Type Details
IONIC MOIETY
SALT/SOLVATE -> PARENT