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7464-68-8 | 1,5-DIMETHYL-4-NITROIMIDAZOLE
CAS No: 7464-68-8 Catalog No: AG003DQH MDL No:MFCD01721572
Product Description
Catalog Number:
AG003DQH
Chemical Name:
1,5-DIMETHYL-4-NITROIMIDAZOLE
CAS Number:
7464-68-8
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD01721572
IUPAC Name:
1,5-dimethyl-4-nitroimidazole
InChI:
InChI=1S/C5H7N3O2/c1-4-5(8(9)10)6-3-7(4)2/h3H,1-2H3
InChI Key:
ULEIQLOXYAULFE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1C)C
NSC Number:
400014
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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