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Home > Nitro Compounds > 77666-53-6
77666-53-6 | 1,2,5-Oxadiazole,3-methyl-4-nitro-(9CI)
CAS No: 77666-53-6 Catalog No: AG00GGU4 MDL No:MFCD00604397
Product Description
Catalog Number:
AG00GGU4
Chemical Name:
1,2,5-Oxadiazole,3-methyl-4-nitro-(9CI)
CAS Number:
77666-53-6
Molecular Formula:
C3H3N3O3
Molecular Weight:
129.0742
MDL Number:
MFCD00604397
IUPAC Name:
3-methyl-4-nitro-1,2,5-oxadiazole
InChI:
InChI=1S/C3H3N3O3/c1-2-3(6(7)8)5-9-4-2/h1H3
InChI Key:
QSRKLFPDTLSZOE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nonc1C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.017g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.075g/mol
Monoisotopic Mass:
129.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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