Home Halogens Methyl 4-bromo-5-methyl-3-isoxazolecarboxylate

Methyl 4-bromo-5-methyl-3-isoxazolecarboxylate

CAS No.:
850832-54-1
Catalog Number:
AG00G4I1
Molecular Formula:
C6H6BrNO3
Molecular Weight:
220.0207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$74
- +
250mg
95%
In Stock USA
United States
$119
- +
1g
95%
In Stock USA
United States
$262
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00G4I1
Chemical Name:
Methyl 4-bromo-5-methyl-3-isoxazolecarboxylate
CAS Number:
850832-54-1
Molecular Formula:
C6H6BrNO3
Molecular Weight:
220.0207
MDL Number:
MFCD12028409
IUPAC Name:
methyl 4-bromo-5-methyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C6H6BrNO3/c1-3-4(7)5(8-11-3)6(9)10-2/h1-2H3
InChI Key:
JNKCVGKAKCWGIU-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1Br)C
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.953g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.022g/mol
Monoisotopic Mass:
218.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties