5-(Bromomethyl)-1-methyl-2-nitroimidazole - CAS 231950-42-8
Catalog: |
BB017975 |
Product Name: |
5-(Bromomethyl)-1-methyl-2-nitroimidazole |
CAS: |
231950-42-8 |
Synonyms: |
5-(bromomethyl)-1-methyl-2-nitroimidazole; 5-(bromomethyl)-1-methyl-2-nitroimidazole |
IUPAC Name: | 5-(bromomethyl)-1-methyl-2-nitroimidazole |
Description: | 5-(Bromomethyl)-1-methyl-2-nitroimidazole (CAS# 231950-42-8 ) is a useful research chemical. |
Molecular Weight: | 220.02 |
Molecular Formula: | C5H6BrN3O2 |
Canonical SMILES: | CN1C(=CN=C1[N+](=O)[O-])CBr |
InChI: | InChI=1S/C5H6BrN3O2/c1-8-4(2-6)3-7-5(8)9(10)11/h3H,2H2,1H3 |
InChI Key: | BQAPMRHAUAEUJV-UHFFFAOYSA-N |
LogP: | 1.74640 |
Publication Number | Title | Priority Date |
CN-111943906-A | Amidine derivative, preparation method thereof, pharmaceutical composition and application | 20190514 |
AU-2010221818-A1 | Prodrug forms of kinase inhibitors and their use in therapy | 20090311 |
CA-2754808-A1 | Prodrug forms of kinase inhibitors and their use in therapy | 20090311 |
EP-2406262-A1 | Prodrug forms of kinase inhibitors and their use in therapy | 20090311 |
EP-3031807-A1 | Prodrug forms of kinase inhibitors and their use in therapy | 20090311 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.96434 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.96434 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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