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57658-79-4 | 1,4-Dimethyl-5-nitroimidazole
CAS No: 57658-79-4 Catalog No: AG003DOS MDL No:MFCD01721570
Product Description
Catalog Number:
AG003DOS
Chemical Name:
1,4-Dimethyl-5-nitroimidazole
CAS Number:
57658-79-4
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD01721570
IUPAC Name:
1,4-dimethyl-5-nitroimidazole
InChI:
InChI=1S/C5H7N3O2/c1-4-5(8(9)10)7(2)3-6-4/h3H,1-2H3
InChI Key:
FEGUTYIXCZDKJV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)ncn1C
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:
1
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