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1-Nitroso-1H-Imidazole

CAT: 1299-RG-A261841-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261841-01Size:10 mg
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CAS Number
1233340-45-8
Synonyms
1-nitroso-1H-imidazole
Molecular Formula
C3H3N3O
Molecular Weight
97.08
Target Alternative Name
Imidazole
Product Name Synonym
1-nitroso-1H-imidazole

Chemical Information

1-Nitroso-1h-imidazole
CAS Number1233340-45-8
PubChem CID21997284
IUPAC Name1-nitrosoimidazole
Molecular FormulaC3H3N3O
Molecular Weight97.08
XLogP-0.2
Topological Polar Surface Area47.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity74
SMILES
C1=CN(C=N1)N=O
InChI
InChI=1S/C3H3N3O/c7-5-6-2-1-4-3-6/h1-3H
InChIKey
JGXVQKUTHDFBCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Nitroso-1h-imidazole
CAS: 1233340-45-8
CID: 21997284
Formula: C3H3N3O
MW: 97.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight97.08
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass97.027611728
Monoisotopic Mass97.027611728
Topological Polar Surface Area47.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity74.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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