3-(Chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole - CAS 959237-80-0
Catalog: |
BB041896 |
Product Name: |
3-(Chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole |
CAS: |
959237-80-0 |
Synonyms: |
3-(chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole |
IUPAC Name: | 3-(chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole |
Description: | 3-(Chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole (CAS# 959237-80-0) is a useful research chemical. |
Molecular Weight: | 158.59 |
Molecular Formula: | C6H7ClN2O |
Canonical SMILES: | C1CC1C2=NC(=NO2)CCl |
InChI: | InChI=1S/C6H7ClN2O/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-3H2 |
InChI Key: | VIIBOHRJBXNITD-UHFFFAOYSA-N |
Boiling Point: | 259.5 ℃ at 760 mmHg |
Density: | 1.386 g/cm3 |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD09864335 |
LogP: | 1.68580 |
Publication Number | Title | Priority Date |
US-2020308145-A1 | Benzimidazole derivatives and their uses | 20171019 |
EP-3442947-A1 | Amine-substituted aryl or heteroaryl compounds as ehmt1 and ehmt2 inhibitors | 20160415 |
JP-2019513778-A | Amine-substituted aryl or heteroaryl compounds as EHMT1 and EHMT2 inhibitors | 20160415 |
KR-20180133906-A | Amine-substituted aryl or heteroaryl compounds as EHMT1 and EHMT2 inhibitors | 20160415 |
US-2017355712-A1 | Amine-substituted aryl or heteroaryl compounds | 20160415 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0246905 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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