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25977-21-3 | 1,2,4-oxadiazole-5-carboxamide, 3-(chloromethyl)-
CAS No: 25977-21-3 Catalog No: AG002R99 MDL No:MFCD12198482
Product Description
Catalog Number:
AG002R99
Chemical Name:
1,2,4-oxadiazole-5-carboxamide, 3-(chloromethyl)-
CAS Number:
25977-21-3
Molecular Formula:
C4H4ClN3O2
Molecular Weight:
161.5465
MDL Number:
MFCD12198482
IUPAC Name:
3-(chloromethyl)-1,2,4-oxadiazole-5-carboxamide
InChI:
InChI=1S/C4H4ClN3O2/c5-1-2-7-4(3(6)9)10-8-2/h1H2,(H2,6,9)
InChI Key:
ZAHDMVGCVZWQOY-UHFFFAOYSA-N
SMILES:
ClCc1noc(n1)C(=O)N
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.545g/mol
Monoisotopic Mass:
160.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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