CAS 517870-15-4 | Methyl 5-(4-bromophenyl)isoxazole-3-carboxylate | CAS Number 517870-15-4

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517870-15-4 | Methyl 5-(4-bromophenyl)isoxazole-3-carboxylate

CAS No: 517870-15-4 Catalog No: AG003RWK MDL No:MFCD03778968

Product Description

Catalog Number:

AG003RWK

Chemical Name:

Methyl 5-(4-bromophenyl)isoxazole-3-carboxylate

CAS Number:

517870-15-4

Molecular Formula:

C11H8BrNO3

Molecular Weight:

282.0901

MDL Number:

MFCD03778968

IUPAC Name:

methyl 5-(4-bromophenyl)-1,2-oxazole-3-carboxylate

InChI:

InChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3

InChI Key:

QDMKBPFKVHCOEZ-UHFFFAOYSA-N

SMILES:

COC(=O)c1noc(c1)c1ccc(cc1)Br

Properties

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.093g/mol

Monoisotopic Mass:

280.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501