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4-[(4-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid

4-[(4-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid - CAS 905809-09-8

Catalog:	BB047865
Product Name:	4-[(4-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid
CAS:	905809-09-8
Synonyms:	4-((4-Chlorophenoxy)methyl)-5-methylisoxazole-3-carboxylic acid

Technical Data

Computed Properties

IUPAC Name:	4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
Description:	4-[(4-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic acid (CAS# 905809-09-8 ) is a useful research chemical.
Molecular Weight:	267.66
Molecular Formula:	C12H10ClNO4
Canonical SMILES:	CC1=C(C(=NO1)C(=O)O)COC2=CC=C(C=C2)Cl
InChI:	InChI=1S/C12H10ClNO4/c1-7-10(11(12(15)16)14-18-7)6-17-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,15,16)
InChI Key:	FZBWKLODACXLGY-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Halides

[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[2114-39-8]
2-Bromo-1-phenylpropane

Isoxazoles

[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[903131-45-3]
5-(Boc-aminomethyl)-3-bromoisoxazole
[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate
[33277-15-5]
Ethyl 5-(4-bromophenyl)isoxazole-3-carboxylate
[81282-12-4]
Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate

Oxygen Compounds

[544-62-7]
Batyl alcohol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene

Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.0298355
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	267.0298355
Rotatable Bond Count:	4
Topological Polar Surface Area:	72.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7