2-(2,6-Dichlorobenzyl)oxazole-4-carboxylic Acid - CAS 736971-96-3
Catalog: |
BB034897 |
Product Name: |
2-(2,6-Dichlorobenzyl)oxazole-4-carboxylic Acid |
CAS: |
736971-96-3 |
Synonyms: |
2-[(2,6-dichlorophenyl)methyl]-4-oxazolecarboxylic acid; 2-[(2,6-dichlorophenyl)methyl]-1,3-oxazole-4-carboxylic acid |
IUPAC Name: | 2-[(2,6-dichlorophenyl)methyl]-1,3-oxazole-4-carboxylic acid |
Description: | 2-(2,6-Dichlorobenzyl)oxazole-4-carboxylic Acid (CAS# 736971-96-3 ) is a useful research chemical. |
Molecular Weight: | 272.08 |
Molecular Formula: | C11H7Cl2NO3 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)CC2=NC(=CO2)C(=O)O)Cl |
InChI: | InChI=1S/C11H7Cl2NO3/c12-7-2-1-3-8(13)6(7)4-10-14-9(5-17-10)11(15)16/h1-3,5H,4H2,(H,15,16) |
InChI Key: | ASFYIDXUBGPZTO-UHFFFAOYSA-N |
LogP: | 3.27040 |
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: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.9802985 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.9802985 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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