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119223-01-7 | 1,2,4-OXADIAZOLE, 5-(CHLOROMETHYL)-3-CYCLOPROPYL-
CAS No: 119223-01-7 Catalog No: AG000IES MDL No:MFCD09816101
Product Description
Catalog Number:
AG000IES
Chemical Name:
1,2,4-OXADIAZOLE, 5-(CHLOROMETHYL)-3-CYCLOPROPYL-
CAS Number:
119223-01-7
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD09816101
IUPAC Name:
5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole
InChI:
InChI=1S/C6H7ClN2O/c7-3-5-8-6(9-10-5)4-1-2-4/h4H,1-3H2
InChI Key:
YWRZTXKBYCOPMY-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)C1CC1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.585g/mol
Monoisotopic Mass:
158.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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