Home Other Building Blocks 5-(CHLOROMETHYL)-3-(1,1-DIFLUOROETHYL)-1,2,4-OXADIAZOLE

5-(CHLOROMETHYL)-3-(1,1-DIFLUOROETHYL)-1,2,4-OXADIAZOLE

CAS No.:
1287685-82-8
Catalog Number:
AG01DV74
Molecular Formula:
C5H5ClF2N2O
Molecular Weight:
182.5558
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Product Description
Catalog Number:
AG01DV74
Chemical Name:
5-(CHLOROMETHYL)-3-(1,1-DIFLUOROETHYL)-1,2,4-OXADIAZOLE
CAS Number:
1287685-82-8
Molecular Formula:
C5H5ClF2N2O
Molecular Weight:
182.5558
MDL Number:
MFCD20638063
IUPAC Name:
5-(chloromethyl)-3-(1,1-difluoroethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C5H5ClF2N2O/c1-5(7,8)4-9-3(2-6)11-10-4/h2H2,1H3
InChI Key:
HDPVQXHCCPWCGC-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)C(F)(F)C
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.006g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.555g/mol
Monoisotopic Mass:
182.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties