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Details

Stereochemistry RACEMIC
Molecular Formula C10H12Cl2O
Molecular Weight 219.108
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Chloro-4-(4-chlorophenyl)-2-butanol

SMILES

OC(CCl)CCC1=CC=C(Cl)C=C1

InChI

InChIKey=VMGHYAYPTGFWEV-UHFFFAOYSA-N
InChI=1S/C10H12Cl2O/c11-7-10(13)6-3-8-1-4-9(12)5-2-8/h1-2,4-5,10,13H,3,6-7H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Butoconazole Impurity 1
Preferred Name English
1-Chloro-4-(4-chlorophenyl)-2-butanol
Systematic Name English
4-Chloro-?-(chloromethyl)benzenepropanol
Systematic Name English
1-Chloro-4-(4-chlorophenyl)butan-2-ol
Systematic Name English
Benzenepropanol, 4-chloro-?-(chloromethyl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30498037
Created by admin on Wed Apr 02 17:18:47 GMT 2025 , Edited by admin on Wed Apr 02 17:18:47 GMT 2025
PRIMARY
CAS
59363-13-2
Created by admin on Wed Apr 02 17:18:47 GMT 2025 , Edited by admin on Wed Apr 02 17:18:47 GMT 2025
PRIMARY
PUBCHEM
12432033
Created by admin on Wed Apr 02 17:18:47 GMT 2025 , Edited by admin on Wed Apr 02 17:18:47 GMT 2025
PRIMARY
FDA UNII
LE6H26SNW5
Created by admin on Wed Apr 02 17:18:47 GMT 2025 , Edited by admin on Wed Apr 02 17:18:47 GMT 2025
PRIMARY
NIH
NCATS
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