Methyl 2-(2,6-Dichlorobenzyl)oxazole-4-carboxylate - CAS 736971-94-1
Catalog: |
BB034896 |
Product Name: |
Methyl 2-(2,6-Dichlorobenzyl)oxazole-4-carboxylate |
CAS: |
736971-94-1 |
Synonyms: |
2-[(2,6-dichlorophenyl)methyl]-4-oxazolecarboxylic acid methyl ester; methyl 2-[(2,6-dichlorophenyl)methyl]-1,3-oxazole-4-carboxylate |
IUPAC Name: | methyl 2-[(2,6-dichlorophenyl)methyl]-1,3-oxazole-4-carboxylate |
Description: | Methyl 2-(2,6-Dichlorobenzyl)oxazole-4-carboxylate (CAS# 736971-94-1 ) is a useful research chemical. |
Molecular Weight: | 286.11 |
Molecular Formula: | C12H9Cl2NO3 |
Canonical SMILES: | COC(=O)C1=COC(=N1)CC2=C(C=CC=C2Cl)Cl |
InChI: | InChI=1S/C12H9Cl2NO3/c1-17-12(16)10-6-18-11(15-10)5-7-8(13)3-2-4-9(7)14/h2-4,6H,5H2,1H3 |
InChI Key: | WBIAMIFCONHZOS-UHFFFAOYSA-N |
LogP: | 3.35880 |
Publication Number | Title | Priority Date |
AU-2004212490-A1 | Vanilloid receptor ligands and their use in treatments | 20030210 |
AU-2004212490-B2 | Vanilloid receptor ligands and their use in treatments | 20030210 |
CA-2515215-A1 | Vanilloid receptor ligands and their use in treatments | 20030210 |
EP-1603905-A1 | Vanilloid receptor ligands and their use in treatments | 20030210 |
EP-1818333-A1 | Vanilloid receptor ligands and their use in treatments | 20030210 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.9959485 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.9959485 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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