Methyl 1-Methyl-4-nitroimidazole-2-carboxylate - CAS 169770-25-6
Catalog: |
BB012577 |
Product Name: |
Methyl 1-Methyl-4-nitroimidazole-2-carboxylate |
CAS: |
169770-25-6 |
Synonyms: |
1-methyl-4-nitro-2-imidazolecarboxylic acid methyl ester; methyl 1-methyl-4-nitroimidazole-2-carboxylate |
IUPAC Name: | methyl 1-methyl-4-nitroimidazole-2-carboxylate |
Description: | Methyl 1-Methyl-4-nitroimidazole-2-carboxylate (CAS# 169770-25-6 ) is a useful research chemical. |
Molecular Weight: | 185.14 |
Molecular Formula: | C6H7N3O4 |
Canonical SMILES: | CN1C=C(N=C1C(=O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C6H7N3O4/c1-8-3-4(9(11)12)7-5(8)6(10)13-2/h3H,1-2H3 |
InChI Key: | FZSWXFKGZZOIMM-UHFFFAOYSA-N |
Boiling Point: | 345 ℃ at 760 mmHg |
Density: | 1.49 g/cm3 |
MDL: | MFCD08275078 |
LogP: | 0.63810 |
Publication Number | Title | Priority Date |
JP-2009011183-A | DNA detection method | 20070702 |
WO-2007045096-A1 | Oligoheteroaromatic luminiscent assemblies as high-affinity dna sequence-directed ligands | 20051021 |
US-2007265240-A1 | Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes | 20031007 |
CN-1211371-C | Single imidazole/multiamine acylamide kind compound and its synthesis method and use | 20020813 |
CN-1475483-A | Single imidazole/multiamine acylamide kind compound and its synthesis method and use | 20020813 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04365571 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04365571 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 89.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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