Home Carbonyls 4-(2-MethoxyethylaMino)-1,2,5-oxadiazole-3-carbonyl chloride oxiMe

4-(2-MethoxyethylaMino)-1,2,5-oxadiazole-3-carbonyl chloride oxiMe

CAS No.:
1204669-61-3
Catalog Number:
AG0099SU
Molecular Formula:
C6H9ClN4O3
Molecular Weight:
220.6137
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Product Description
Catalog Number:
AG0099SU
Chemical Name:
4-(2-MethoxyethylaMino)-1,2,5-oxadiazole-3-carbonyl chloride oxiMe
CAS Number:
1204669-61-3
Molecular Formula:
C6H9ClN4O3
Molecular Weight:
220.6137
MDL Number:
MFCD28125596
IUPAC Name:
(3E)-N-hydroxy-4-(2-methoxyethylamino)-1,2,5-oxadiazole-3-carboximidoyl chloride
InChI:
InChI=1S/C6H9ClN4O3/c1-13-3-2-8-6-4(5(7)9-12)10-14-11-6/h12H,2-3H2,1H3,(H,8,11)/b9-5+
InChI Key:
CJKQNSAIXIFSOF-WEVVVXLNSA-N
SMILES:
COCCNc1nonc1/C(=N/O)/Cl
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
220.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.613g/mol
Monoisotopic Mass:
220.036g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties