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Details

Stereochemistry ACHIRAL
Molecular Formula C11H7Cl2NO3
Molecular Weight 272.084
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2,6-DICHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-CARBOXYLIC ACID

SMILES

CC1=C(C(O)=O)C(=NO1)C2=C(Cl)C=CC=C2Cl

InChI

InChIKey=WQXUUMUOERZZAE-UHFFFAOYSA-N
InChI=1S/C11H7Cl2NO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)

HIDE SMILES / InChI
Molecular Formula C11H7Cl2NO3
Molecular Weight 272.084
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:40:03 GMT 2025
Edited
by admin
on Mon Mar 31 23:40:03 GMT 2025
Record UNII
GMQ99QP4XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2,6-DICHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-CARBOXYLIC ACID
Systematic Name English
DICLOXACILLIN SODIUM IMPURITY D [EP IMPURITY]
Preferred Name English
4-ISOXAZOLECARBOXYLIC ACID, 3-(2,6-DICHLOROPHENYL)-5-METHYL-
Systematic Name English
3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC ACID
Systematic Name English
3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLYLCARBOXYLIC ACID
Systematic Name English
3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1189053
Created by admin on Mon Mar 31 23:40:03 GMT 2025 , Edited by admin on Mon Mar 31 23:40:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID5063233
Created by admin on Mon Mar 31 23:40:03 GMT 2025 , Edited by admin on Mon Mar 31 23:40:03 GMT 2025
PRIMARY
CAS
3919-76-4
Created by admin on Mon Mar 31 23:40:03 GMT 2025 , Edited by admin on Mon Mar 31 23:40:03 GMT 2025
PRIMARY
PUBCHEM
77521
Created by admin on Mon Mar 31 23:40:03 GMT 2025 , Edited by admin on Mon Mar 31 23:40:03 GMT 2025
PRIMARY
FDA UNII
GMQ99QP4XQ
Created by admin on Mon Mar 31 23:40:03 GMT 2025 , Edited by admin on Mon Mar 31 23:40:03 GMT 2025
PRIMARY
Related Record Type Details
Structure of POTASSIUM 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of DICLOXACILLIN SODIUM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
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