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Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate

CAS No.:
954230-39-8
Catalog Number:
AG006DE8
Molecular Formula:
C13H12FNO3
Molecular Weight:
249.2377
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 99% (HPLC)
1 week
United States
$99
- +
250mg
≥ 99% (HPLC)
1 week
United States
$151
- +
1g
≥ 99% (HPLC)
1 week
United States
$243
- +
5g
≥ 99% (HPLC)
1 week
United States
$765
- +
Product Description
Catalog Number:
AG006DE8
Chemical Name:
Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate
CAS Number:
954230-39-8
Molecular Formula:
C13H12FNO3
Molecular Weight:
249.2377
MDL Number:
MFCD09756447
IUPAC Name:
ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C13H12FNO3/c1-3-17-13(16)11-8(2)18-15-12(11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3
InChI Key:
QQZTUBJEZZHCKF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)onc1c1ccc(cc1)F
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.08g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.241g/mol
Monoisotopic Mass:
249.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties