Ethyl 5-Chloro-4H-1,2,4-triazole-3-carboxylate - CAS 774608-88-7
Catalog: |
BB035952 |
Product Name: |
Ethyl 5-Chloro-4H-1,2,4-triazole-3-carboxylate |
CAS: |
774608-88-7 |
Synonyms: |
5-chloro-1H-1,2,4-triazole-3-carboxylic acid ethyl ester; ethyl 5-chloro-1H-1,2,4-triazole-3-carboxylate |
IUPAC Name: | ethyl 5-chloro-1H-1,2,4-triazole-3-carboxylate |
Description: | Ethyl 5-Chloro-4H-1,2,4-triazole-3-carboxylate (CAS# 774608-88-7) is a useful research chemical. |
Molecular Weight: | 175.57 |
Molecular Formula: | C5H6ClN3O2 |
Canonical SMILES: | CCOC(=O)C1=NNC(=N1)Cl |
InChI: | InChI=1S/C5H6ClN3O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H,7,8,9) |
InChI Key: | WBHBIABCHFSRAJ-UHFFFAOYSA-N |
Boiling Point: | 337 °C at 760 mmHg |
Density: | 1.456 g/cm3 |
MDL: | MFCD11040186 |
LogP: | 0.63480 |
Publication Number | Title | Priority Date |
CN-112079839-A | Lactam derivative, preparation method and medical application thereof | 20190615 |
WO-2020239074-A1 | Bicyclic compound as rip-1 kinase inhibitor and application thereof | 20190531 |
WO-2016044446-A2 | Sgc stimulators | 20140917 |
Complexity: | 155 |
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: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0148541 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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