Home Halogens Methyl 5-(3-bromophenyl)isoxazole-3-carboxylate

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

CAS No.:
745078-74-4
Catalog Number:
AG003RWF
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97%
In Stock USA
United States
$429
- +
Product Description
Catalog Number:
AG003RWF
Chemical Name:
Methyl 5-(3-bromophenyl)isoxazole-3-carboxylate
CAS Number:
745078-74-4
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
MDL Number:
MFCD19442794
IUPAC Name:
methyl 5-(3-bromophenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-3-2-4-8(12)5-7/h2-6H,1H3
InChI Key:
CMRCBZBHVKPEIX-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1cccc(c1)Br
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.969g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.093g/mol
Monoisotopic Mass:
280.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties