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100442-49-7 | 1,2,4-Oxadiazole, 5-(chloromethyl)-3-(trifluoromethyl)-
CAS No: 100442-49-7 Catalog No: AG00020I MDL No:MFCD10696384
Product Description
Catalog Number:
AG00020I
Chemical Name:
1,2,4-Oxadiazole, 5-(chloromethyl)-3-(trifluoromethyl)-
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
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
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