Home Halogens 2-Bromo-1-[3-(3,4-dichlorophenyl)isoxazol-5-yl]ethan-1-one

2-Bromo-1-[3-(3,4-dichlorophenyl)isoxazol-5-yl]ethan-1-one

CAS No.:
175277-38-0
Catalog Number:
AG00AQ1T
Molecular Formula:
C11H6BrCl2NO2
Molecular Weight:
334.9808
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$92
- +
1g
1 week
United States
$142
- +
Product Description
Catalog Number:
AG00AQ1T
Chemical Name:
2-Bromo-1-[3-(3,4-dichlorophenyl)isoxazol-5-yl]ethan-1-one
CAS Number:
175277-38-0
Molecular Formula:
C11H6BrCl2NO2
Molecular Weight:
334.9808
MDL Number:
MFCD00173899
IUPAC Name:
2-bromo-1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone
InChI:
InChI=1S/C11H6BrCl2NO2/c12-5-10(16)11-4-9(15-17-11)6-1-2-7(13)8(14)3-6/h1-4H,5H2
InChI Key:
CBDHLEMYIQJYII-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1onc(c1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.896g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.978g/mol
Monoisotopic Mass:
332.896g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties