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Home Other Building Blocks 5-(Chloromethyl)-3-phenyl-1,2,4-oxadiazole

5-(Chloromethyl)-3-phenyl-1,2,4-oxadiazole

CAS No.:
1822-94-2
Catalog Number:
AG0023H4
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$32
- +
250mg
95%
In Stock USA
United States
$47
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG0023H4
Chemical Name:
5-(Chloromethyl)-3-phenyl-1,2,4-oxadiazole
CAS Number:
1822-94-2
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD00512786
IUPAC Name:
5-(chloromethyl)-3-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7ClN2O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
XMSYUUPMPGDIOE-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)c1ccccc1
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
5-(1H-1,2,3-Benzotriazol-1-ylmeth-yl)-3-phenyl-1,2,4-oxadiazole. Acta crystallographica. Section E, Structure reports online 20080801
Properties