5-(Chloromethyl)-3-methyl-1,2,4-oxadiazole - CAS 1192-81-0
Catalog: |
BB004451 |
Product Name: |
5-(Chloromethyl)-3-methyl-1,2,4-oxadiazole |
CAS: |
1192-81-0 |
Synonyms: |
5-(chloromethyl)-3-methyl-1,2,4-oxadiazole; 5-(chloromethyl)-3-methyl-1,2,4-oxadiazole |
IUPAC Name: | 5-(chloromethyl)-3-methyl-1,2,4-oxadiazole |
Description: | 5-(Chloromethyl)-3-methyl-1,2,4-oxadiazole (CAS# 1192-81-0) is a useful research chemical. |
Molecular Weight: | 132.55 |
Molecular Formula: | C4H5ClN2O |
Canonical SMILES: | CC1=NOC(=N1)CCl |
InChI: | InChI=1S/C4H5ClN2O/c1-3-6-4(2-5)8-7-3/h2H2,1H3 |
InChI Key: | FYDQQEVRVKAASZ-UHFFFAOYSA-N |
Boiling Point: | 211.669 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.291 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08445357 |
LogP: | 1.11680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
WO-2020249785-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
US-2021017169-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
WO-2019211463-A1 | Novel compounds | 20180504 |
AU-2019263682-A1 | Novel compounds | 20180504 |
Complexity: | 80.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.0090405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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