Home Halogens Ethanone, 1-[3-(4-chlorophenyl)-5-methyl-4-isoxazolyl]-

Ethanone, 1-[3-(4-chlorophenyl)-5-methyl-4-isoxazolyl]-

CAS No.:
169814-48-6
Catalog Number:
AG00797W
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$241
- +
5g
1 week
United States
$791
- +
Product Description
Catalog Number:
AG00797W
Chemical Name:
Ethanone, 1-[3-(4-chlorophenyl)-5-methyl-4-isoxazolyl]-
CAS Number:
169814-48-6
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
MDL Number:
MFCD01313507
IUPAC Name:
1-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
InChI:
InChI=1S/C12H10ClNO2/c1-7(15)11-8(2)16-14-12(11)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChI Key:
XSAMMAPYCPHHKH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1noc(c1C(=O)C)C
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties