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100442-49-7,MFCD10696384
Catalog No.:AA0001XQ
100442-49-7 | 5-(Chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$374.00   $262.00
- +
5g
95%
in stock  
$1,262.00   $884.00
- +
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Technical Information
Catalog Number:
AA0001XQ
Chemical Name:
5-(Chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CAS Number:
100442-49-7
Molecular Formula:
C4H2ClF3N2O
Molecular Weight:
186.5197
MDL Number:
MFCD10696384
IUPAC Name:
5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C4H2ClF3N2O/c5-1-2-9-3(10-11-2)4(6,7)8/h1H2
InChI Key:
WACHKVQSVMCWOH-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.981g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.518g/mol
Monoisotopic Mass:
185.981g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole 
100442-49-7 
AB57210 
AJ-86903 
BB 0261722 
Y-6424 
5-Chloromethyl-3-trifluoromethyl-[1,2,4]oxadiazole 
5-(Chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole, AldrichCPR 
C4H2ClF3N2O 
1,2,4-OXADIAZOLE, 5-(CHLOROMETHYL)-3-(TRIFLUOROMETHYL)- 
SCHEMBL1668621 
WACHKVQSVMCWOH-UHFFFAOYSA-N 
ALBB-016426 
7162AC 
MFCD10696384 
ZINC34090236 
AKOS006303624 
Literature
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