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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
Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum.
2005 Jul 7
Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range.
2007 Dec 18
Prediction of solubility of drugs and other compounds in organic solvents.
2010 Mar
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:59:48 GMT 2023
Edited
by admin
on Sat Dec 16 01:59:48 GMT 2023
Record UNII
YS4ZR9BXWX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DICHLOROBENZOIC ACID
Systematic Name English
NSC-17583
Code English
Code System Code Type Description
NSC
17583
Created by admin on Sat Dec 16 01:59:48 GMT 2023 , Edited by admin on Sat Dec 16 01:59:48 GMT 2023
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EPA CompTox
DTXSID9024980
Created by admin on Sat Dec 16 01:59:48 GMT 2023 , Edited by admin on Sat Dec 16 01:59:48 GMT 2023
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ECHA (EC/EINECS)
200-099-2
Created by admin on Sat Dec 16 01:59:48 GMT 2023 , Edited by admin on Sat Dec 16 01:59:48 GMT 2023
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PUBCHEM
5817
Created by admin on Sat Dec 16 01:59:48 GMT 2023 , Edited by admin on Sat Dec 16 01:59:48 GMT 2023
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FDA UNII
YS4ZR9BXWX
Created by admin on Sat Dec 16 01:59:48 GMT 2023 , Edited by admin on Sat Dec 16 01:59:48 GMT 2023
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CHEBI
49401
Created by admin on Sat Dec 16 01:59:48 GMT 2023 , Edited by admin on Sat Dec 16 01:59:48 GMT 2023
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CAS
51-44-5
Created by admin on Sat Dec 16 01:59:48 GMT 2023 , Edited by admin on Sat Dec 16 01:59:48 GMT 2023
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