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189130-87-8 | 1,2,4-Oxadiazole, 3-(chloromethyl)-5-(1-methylethyl)-
CAS No: 189130-87-8 Catalog No: AG002HXN MDL No:MFCD09864313
Product Description
Catalog Number:
AG002HXN
Chemical Name:
1,2,4-Oxadiazole, 3-(chloromethyl)-5-(1-methylethyl)-
CAS Number:
189130-87-8
Molecular Formula:
C6H9ClN2O
Molecular Weight:
160.6015
MDL Number:
MFCD09864313
IUPAC Name:
3-(chloromethyl)-5-propan-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C6H9ClN2O/c1-4(2)6-8-5(3-7)9-10-6/h4H,3H2,1-2H3
InChI Key:
CHNMYSFXOVDDFY-UHFFFAOYSA-N
SMILES:
ClCc1noc(n1)C(C)C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.601g/mol
Monoisotopic Mass:
160.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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