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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClNO4
Molecular Weight 201.564
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-3-NITROBENZOIC ACID

SMILES

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

InChI

InChIKey=DFXQXFGFOLXAPO-UHFFFAOYSA-N
InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H4ClNO4
Molecular Weight 201.564
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Finding of the low molecular weight inhibitors of resuscitation promoting factor enzymatic and resuscitation activity.
2009-12-16
4-Chloro-3-nitro-benzamide.
2008-12-10
Ethyl 4-chloro-3-nitro-benzoate.
2008-01-25
Preparation and antibacterial activity of copper and cobalt complexes of 4-chloro-3-nitrobenzoate with a nitrogen donor ligand.
2007-03
A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K.
2006-05
Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate.
2001-12
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:04:17 GMT 2025
Edited
by admin
on Mon Mar 31 19:04:17 GMT 2025
Record UNII
0MLZ915Q9K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLORO-3-NITROBENZOIC ACID
Systematic Name English
NSC-8440
Preferred Name English
BENZOIC ACID, 4-CHLORO-3-NITRO-
Common Name English
3-NITRO-4-CHLOROBENZOIC ACID
Systematic Name English
6-CHLORO-3-CARBOXYNITROBENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
7320
Created by admin on Mon Mar 31 19:04:17 GMT 2025 , Edited by admin on Mon Mar 31 19:04:17 GMT 2025
PRIMARY
CAS
96-99-1
Created by admin on Mon Mar 31 19:04:17 GMT 2025 , Edited by admin on Mon Mar 31 19:04:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID7059143
Created by admin on Mon Mar 31 19:04:17 GMT 2025 , Edited by admin on Mon Mar 31 19:04:17 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-550-9
Created by admin on Mon Mar 31 19:04:17 GMT 2025 , Edited by admin on Mon Mar 31 19:04:17 GMT 2025
PRIMARY
NSC
8440
Created by admin on Mon Mar 31 19:04:17 GMT 2025 , Edited by admin on Mon Mar 31 19:04:17 GMT 2025
PRIMARY
MESH
C040769
Created by admin on Mon Mar 31 19:04:17 GMT 2025 , Edited by admin on Mon Mar 31 19:04:17 GMT 2025
PRIMARY
FDA UNII
0MLZ915Q9K
Created by admin on Mon Mar 31 19:04:17 GMT 2025 , Edited by admin on Mon Mar 31 19:04:17 GMT 2025
PRIMARY