Home Carboxys 3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid

3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid

CAS No.:
1736-21-6
Catalog Number:
AG001Z2H
Molecular Formula:
C11H8FNO3
Molecular Weight:
221.1845
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 97% (HPLC)
1 week
United States
$117
- +
5g
≥ 97% (HPLC)
1 week
United States
$371
- +
10g
≥ 97% (HPLC)
1 week
United States
$636
- +
Product Description
Catalog Number:
AG001Z2H
Chemical Name:
3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid
CAS Number:
1736-21-6
Molecular Formula:
C11H8FNO3
Molecular Weight:
221.1845
MDL Number:
MFCD03407356
IUPAC Name:
3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChI Key:
PDEGBONVUJDOFN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1noc(c1C(=O)O)C
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.049g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.187g/mol
Monoisotopic Mass:
221.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties