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1-Methyl-5-nitroimidazole

CAT: 0013-GTR19250808-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250808-01Size:500 mg
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Description
1-Methyl-5-nitroimidazole
CAS Number
3034-42-2
Product Name Alternative
Compound PDK0175
Smiles
CN1C=NC=C1[N+] ([O-]) =O
Molecular Formula
C4H5N3O2
Molecular Weight
127.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Methyl-5-nitroimidazole
CAS Number3034-42-2
PubChem CID18210
IUPAC Name1-methyl-5-nitroimidazole
Molecular FormulaC4H5N3O2
Molecular Weight127.10
XLogP0.2
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity121
SMILES
CN1C=NC=C1[N+](=O)[O-]
InChI
InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3
InChIKey
JLZXSFPSJJMRIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-5-nitroimidazole
CAS: 3034-42-2
CID: 18210
Formula: C4H5N3O2
MW: 127.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.10
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass127.038176411
Monoisotopic Mass127.038176411
Topological Polar Surface Area63.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity121
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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