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Home > Imidazoles > 14003-66-8
14003-66-8 | 1H-Imidazole, 4-methyl-5-nitro-
CAS No: 14003-66-8 Catalog No: AG001BYO MDL No:MFCD01721395
Product Description
Catalog Number:
AG001BYO
Chemical Name:
1H-Imidazole, 4-methyl-5-nitro-
CAS Number:
14003-66-8
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD01721395
IUPAC Name:
4-methyl-5-nitro-1H-imidazole
InChI:
InChI=1S/C4H5N3O2/c1-3-4(7(8)9)6-2-5-3/h2H,1H3,(H,5,6)
InChI Key:
WSYOWIMKNNMEMZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)nc[nH]1
EC Number:
237-809-5
UNII:
5PUL8BW840
NSC Number:
156634
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Inhibition of inducible nitric oxide synthesis by azathioprine in a macrophage cell line. | Life sciences 20060620 |
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