Methyl 2-Chlorobenzoxazole-4-carboxylate - CAS 1007112-35-7

Catalog:	BB000308
Product Name:	Methyl 2-Chlorobenzoxazole-4-carboxylate
CAS:	1007112-35-7
Synonyms:	2-chloro-1,3-benzoxazole-4-carboxylic acid methyl ester; methyl 2-chloro-1,3-benzoxazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-chloro-1,3-benzoxazole-4-carboxylate
Description:	Methyl 2-Chlorobenzoxazole-4-carboxylate (CAS# 1007112-35-7) is a useful research chemical.
Molecular Weight:	211.60
Molecular Formula:	C9H6ClNO3
Canonical SMILES:	COC(=O)C1=C2C(=CC=C1)OC(=N2)Cl
InChI:	InChI=1S/C9H6ClNO3/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3
InChI Key:	QXOMDXKTDOJUPP-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.26780

Publication Number	Title	Priority Date
AU-2007281678-A1	2-aminobenzoxazole carboxamides as 5HT3 modulators	20060807
AU-2007281678-B2	2-aminobenzoxazole carboxamides as 5HT3 modulators	20060807
CA-2660349-A1	2-aminobenzoxazole carboxamides as 5ht3 modulators	20060807
EP-2061460-A2	2-aminobenzoxazole carboxamides as 5ht3 modulators	20060807
IL-196949-A	Carboxamides 2-aminobenzoxazole and medicinal products containing them	20060807

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.0036207
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.0036207
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6