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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4N2O6
Molecular Weight 212.1165
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DINITROBENZOIC ACID

SMILES

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

InChI

InChIKey=OMVRRHJJQILIJX-UHFFFAOYSA-N
InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H4N2O6
Molecular Weight 212.1165
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Modular approach toward supramolecular functional assemblies: characterization of Donor-spacer-acceptor ternary complexes.
2005-07-14
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:07:29 GMT 2025
Edited
by admin
on Mon Mar 31 21:07:29 GMT 2025
Record UNII
0L3N4T0GPD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-60713
Preferred Name English
3,4-DINITROBENZOIC ACID
MI  
Systematic Name English
3,4-DINITROBENZOIC ACID [MI]
Common Name English
BENZOIC ACID, 3,4-DINITRO-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID1060180
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
NSC
60713
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-433-9
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
MERCK INDEX
m4571
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY Merck Index
CAS
528-45-0
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
PUBCHEM
10709
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
FDA UNII
0L3N4T0GPD
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY