3-(2-Chloro-6-fluorophenyl)-5-(chloromethyl)-4-isoxazolyl]carboxylic Acid Methyl Ester - CAS 1797982-77-4

Name: 3-(2-Chloro-6-fluorophenyl)-5-(chloromethyl)-4-isoxazolyl]carboxylic Acid Methyl Ester
Brand: BOC Sciences
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Catalog:	BB070108
Product Name:	3-(2-Chloro-6-fluorophenyl)-5-(chloromethyl)-4-isoxazolyl]carboxylic Acid Methyl Ester
CAS:	1797982-77-4
Synonyms:	Methyl 3-(2-chloro-6-fluorophenyl)-5-(chloromethyl)-1,2-oxazole-4-carboxylate; 3-(2-Chloro-6-fluorophenyl)-5-(chloromethyl)-4-isoxazolyl]carboxylic Acid Methyl Ester

Technical Data

IUPAC Name:	methyl 3-(2-chloro-6-fluorophenyl)-5-(chloromethyl)-1,2-oxazole-4-carboxylate
Description:	Intermediate in the preparation of Flucloxacillin (F419200) and its derivatives.
Molecular Weight:	304.1
Molecular Formula:	C12H8Cl2FNO3
Canonical SMILES:	COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)F)CCl
InChI:	InChI=1S/C12H8Cl2FNO3/c1-18-12(17)10-8(5-13)19-16-11(10)9-6(14)3-2-4-7(9)15/h2-4H,5H2,1H3
InChI Key:	FPHUALVVJWSHQO-UHFFFAOYSA-N
Solubility:	Dichloromethane, Ethyl Acetate
Appearance:	White Solid

Complexity:	334
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.9865267
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	302.9865267
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3