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Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO6
Molecular Weight 211.1284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Nitroisophthalic acid

SMILES

OC(=O)C1=CC=CC(C(O)=O)=C1[N+]([O-])=O

InChI

InChIKey=CAHWDGJDQYAFHM-UHFFFAOYSA-N
InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C8H5NO6
Molecular Weight 211.1284
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 12:34:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:54 GMT 2023
Record UNII
5H9GDZ2GTY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Nitroisophthalic acid
Systematic Name English
1,3-Benzenedicarboxylic acid, 2-nitro-
Systematic Name English
2-Nitro-1,3-benzenedicarboxylic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30175396
Created by admin on Sat Dec 16 12:34:54 GMT 2023 , Edited by admin on Sat Dec 16 12:34:54 GMT 2023
PRIMARY
CAS
21161-11-5
Created by admin on Sat Dec 16 12:34:54 GMT 2023 , Edited by admin on Sat Dec 16 12:34:54 GMT 2023
PRIMARY
PUBCHEM
88806
Created by admin on Sat Dec 16 12:34:54 GMT 2023 , Edited by admin on Sat Dec 16 12:34:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-253-7
Created by admin on Sat Dec 16 12:34:54 GMT 2023 , Edited by admin on Sat Dec 16 12:34:54 GMT 2023
PRIMARY
FDA UNII
5H9GDZ2GTY
Created by admin on Sat Dec 16 12:34:54 GMT 2023 , Edited by admin on Sat Dec 16 12:34:54 GMT 2023
PRIMARY