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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H10ClNO2
Molecular Weight 223.656
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethanol, (1S)-

SMILES

C[C@H](O)C1=NOC(=C1)C2=CC=CC(Cl)=C2

InChI

InChIKey=FOLGHHVVTIHOLE-ZETCQYMHSA-N
InChI=1S/C11H10ClNO2/c1-7(14)10-6-11(15-13-10)8-3-2-4-9(12)5-8/h2-7,14H,1H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H10ClNO2
Molecular Weight 223.656
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:31:10 GMT 2025
Edited
by admin
on Wed Apr 02 17:31:10 GMT 2025
Record UNII
BJ5C8SFV6R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethanol
Preferred Name English
1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethanol, (1S)-
Systematic Name English
(?S)-5-(3-Chlorophenyl)-?-methyl-3-isoxazolemethanol
Systematic Name English
3-Isoxazolemethanol, 5-(3-chlorophenyl)-?-methyl-, (?S)-
Systematic Name English
Code System Code Type Description
CAS
1196958-60-7
Created by admin on Wed Apr 02 17:31:10 GMT 2025 , Edited by admin on Wed Apr 02 17:31:10 GMT 2025
PRIMARY
PUBCHEM
58567985
Created by admin on Wed Apr 02 17:31:10 GMT 2025 , Edited by admin on Wed Apr 02 17:31:10 GMT 2025
PRIMARY
FDA UNII
BJ5C8SFV6R
Created by admin on Wed Apr 02 17:31:10 GMT 2025 , Edited by admin on Wed Apr 02 17:31:10 GMT 2025
PRIMARY
Related Record Type Details
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