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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4Cl2O2
Molecular Weight 191.011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

OC(=O)C1=CC=C(Cl)C(Cl)=C1

InChI

InChIKey=VPHHJAOJUJHJKD-UHFFFAOYSA-N
InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H4Cl2O2
Molecular Weight 191.011
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of solubility of drugs and other compounds in organic solvents.
2010-03
Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range.
2007-12-18
Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum.
2005-07-07
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:05:55 GMT 2025
Edited
by admin
on Mon Mar 31 21:05:55 GMT 2025
Record UNII
YS4ZR9BXWX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-17583
Preferred Name English
3,4-DICHLOROBENZOIC ACID
Systematic Name English
Code System Code Type Description
NSC
17583
Created by admin on Mon Mar 31 21:05:55 GMT 2025 , Edited by admin on Mon Mar 31 21:05:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID9024980
Created by admin on Mon Mar 31 21:05:55 GMT 2025 , Edited by admin on Mon Mar 31 21:05:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
200-099-2
Created by admin on Mon Mar 31 21:05:55 GMT 2025 , Edited by admin on Mon Mar 31 21:05:55 GMT 2025
PRIMARY
PUBCHEM
5817
Created by admin on Mon Mar 31 21:05:55 GMT 2025 , Edited by admin on Mon Mar 31 21:05:55 GMT 2025
PRIMARY
FDA UNII
YS4ZR9BXWX
Created by admin on Mon Mar 31 21:05:55 GMT 2025 , Edited by admin on Mon Mar 31 21:05:55 GMT 2025
PRIMARY
CHEBI
49401
Created by admin on Mon Mar 31 21:05:55 GMT 2025 , Edited by admin on Mon Mar 31 21:05:55 GMT 2025
PRIMARY
CAS
51-44-5
Created by admin on Mon Mar 31 21:05:55 GMT 2025 , Edited by admin on Mon Mar 31 21:05:55 GMT 2025
PRIMARY