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Details

Stereochemistry ACHIRAL
Molecular Formula C11H7Cl2NO2
Molecular Weight 256.085
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride

SMILES

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

InChI

InChIKey=BPDBLWKFVXHGFT-UHFFFAOYSA-N
InChI=1S/C11H7Cl2NO2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C11H7Cl2NO2
Molecular Weight 256.085
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:36:50 GMT 2025
Edited
by admin
on Tue Apr 01 19:36:50 GMT 2025
Record UNII
9EML25568K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-81237
Preferred Name English
3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride
Systematic Name English
4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-
Systematic Name English
3-(2-Chlorophenyl)-5-methylisoxazol-4-carbonyl chloride
Systematic Name English
4-Isoxazolecarbonyl chloride, 3-(o-chlorophenyl)-5-methyl-
Systematic Name English
3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride
Systematic Name English
Code System Code Type Description
CAS
25629-50-9
Created by admin on Tue Apr 01 19:36:50 GMT 2025 , Edited by admin on Tue Apr 01 19:36:50 GMT 2025
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FDA UNII
9EML25568K
Created by admin on Tue Apr 01 19:36:50 GMT 2025 , Edited by admin on Tue Apr 01 19:36:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID60865238
Created by admin on Tue Apr 01 19:36:50 GMT 2025 , Edited by admin on Tue Apr 01 19:36:50 GMT 2025
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PUBCHEM
96590
Created by admin on Tue Apr 01 19:36:50 GMT 2025 , Edited by admin on Tue Apr 01 19:36:50 GMT 2025
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ECHA (EC/EINECS)
247-137-4
Created by admin on Tue Apr 01 19:36:50 GMT 2025 , Edited by admin on Tue Apr 01 19:36:50 GMT 2025
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NSC
81237
Created by admin on Tue Apr 01 19:36:50 GMT 2025 , Edited by admin on Tue Apr 01 19:36:50 GMT 2025
PRIMARY