5-(Chloromethyl)-1-methyl-2-nitroimidazole - CAS 87544-76-1
Catalog: |
BB038518 |
Product Name: |
5-(Chloromethyl)-1-methyl-2-nitroimidazole |
CAS: |
87544-76-1 |
Synonyms: |
5-(chloromethyl)-1-methyl-2-nitroimidazole; 5-(chloromethyl)-1-methyl-2-nitroimidazole |
IUPAC Name: | 5-(chloromethyl)-1-methyl-2-nitroimidazole |
Description: | 5-(Chloromethyl)-1-methyl-2-nitroimidazole (CAS# 87544-76-1 ) is a useful research chemical. |
Molecular Weight: | 175.57 |
Molecular Formula: | C5H6ClN3O2 |
Canonical SMILES: | CN1C(=CN=C1[N+](=O)[O-])CCl |
InChI: | InChI=1S/C5H6ClN3O2/c1-8-4(2-6)3-7-5(8)9(10)11/h3H,2H2,1H3 |
InChI Key: | KRTOFWZHDZMSQP-UHFFFAOYSA-N |
LogP: | 1.59030 |
Publication Number | Title | Priority Date |
CN-113004251-A | Quinazoline derivative containing 2-nitroimidazole and application thereof | 20210305 |
CN-112679486-A | Preparation and application of photosensitizer based on nitroreductase response | 20210118 |
CN-110872339-A | Linker containing aromatic nitro group, antibody conjugate drug containing linker and application of linker | 20180830 |
WO-2020043129-A1 | Linker containing arylnitro, antibody-drug conjugate containing linker and use of linker | 20180830 |
CN-112601556-A | Linker containing aromatic nitro group, antibody conjugate drug containing linker and application of linker | 20180830 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0148541 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0148541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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