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2-(2,6-Dichlorobenzyl)oxazole-4-carboxylic Acid

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

Technical Data

Patents

Computed Properties

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

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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