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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNO2
Molecular Weight 171.581
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-4-CHLOROBENZOIC ACID

SMILES

NC1=C(Cl)C=CC(=C1)C(O)=O

InChI

InChIKey=DMGFVJVLVZOSOE-UHFFFAOYSA-N
InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H6ClNO2
Molecular Weight 171.581
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis of the 2,3,4-trisubstituted indole fragments of nosiheptide and glycothiohexide.
2004 Mar 7
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:00:43 GMT 2023
Edited
by admin
on Fri Dec 15 19:00:43 GMT 2023
Record UNII
3Q8R4430CF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINO-4-CHLOROBENZOIC ACID
Systematic Name English
NSC-211572
Code English
4-CHLORO-3-AMINOBENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-AMINO-4-CHLORO-
Common Name English
4-CHLORO-5-AMINOBENZOIC ACID
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
220-635-9
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY
NSC
211572
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID8044414
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY
PUBCHEM
76092
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY
CAS
2840-28-0
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY
FDA UNII
3Q8R4430CF
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY