Methyl 5-Bromo-2-Methyl-2H-1,2,3-triazole-4-carboxylate - CAS 1372711-70-0
Catalog: |
BB008535 |
Product Name: |
Methyl 5-Bromo-2-Methyl-2H-1,2,3-triazole-4-carboxylate |
CAS: |
1372711-70-0 |
Synonyms: |
5-bromo-2-methyl-4-triazolecarboxylic acid methyl ester; methyl 5-bromo-2-methyltriazole-4-carboxylate |
IUPAC Name: | methyl 5-bromo-2-methyltriazole-4-carboxylate |
Description: | Methyl 5-Bromo-2-Methyl-2H-1,2,3-triazole-4-carboxylate (CAS# 1372711-70-0 ) is a useful research chemical. |
Molecular Weight: | 220.02 |
Molecular Formula: | C5H6BrN3O2 |
Canonical SMILES: | CN1N=C(C(=N1)Br)C(=O)OC |
InChI: | InChI=1S/C5H6BrN3O2/c1-9-7-3(4(6)8-9)5(10)11-2/h1-2H3 |
InChI Key: | BSHWJBSHZPLXDB-UHFFFAOYSA-N |
LogP: | 0.36420 |
Publication Number | Title | Priority Date |
CA-3013927-A1 | Halo-substituted piperidines as orexin receptor modulators | 20160212 |
EP-3414241-A1 | Halo-substituted piperidines as orexin receptor modulators | 20160212 |
JP-2019511466-A | Halo substituted piperidines as orexin receptor modulators | 20160212 |
KR-20180107232-A | The halo-substituted piperidine as an orexin receptor modulator | 20160212 |
TW-201731835-A | Halogen-substituted hexahydropyridine as an orexin receptor modulator | 20160212 |
Complexity: | 166 |
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: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.96434 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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