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Home Carboxys 5-(4-Bromophenyl)isoxazole-3-carboxylic acid

5-(4-Bromophenyl)isoxazole-3-carboxylic acid

CAS No.:
33282-23-4
Catalog Number:
AG003M59
Molecular Formula:
C10H6BrNO3
Molecular Weight:
268.0635
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95%
In Stock USA
United States
$130
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Product Description
Catalog Number:
AG003M59
Chemical Name:
5-(4-Bromophenyl)isoxazole-3-carboxylic acid
CAS Number:
33282-23-4
Molecular Formula:
C10H6BrNO3
Molecular Weight:
268.0635
MDL Number:
MFCD06245167
IUPAC Name:
5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChI Key:
MLMNGXLPBJRYFI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1onc(c1)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.953g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.066g/mol
Monoisotopic Mass:
266.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor. Journal of medicinal chemistry 20030925
Properties