Name: Name:4-Isoxazolecarboxylic acid, 3-methyl-5-[4-(trifluoromethyl)phenyl]-, methyl ester
Brand: Angene
SKU: AG0020RR
Rating: 90 (10 reviews)

4-Isoxazolecarboxylic acid, 3-methyl-5-[4-(trifluoromethyl)phenyl]-, methyl ester

CAS No.:

175276-89-8

Catalog Number:

AG0020RR

Molecular Formula:

C13H10F3NO3

Molecular Weight:

285.2186

Catalog Number:

AG0020RR

Chemical Name:

4-Isoxazolecarboxylic acid, 3-methyl-5-[4-(trifluoromethyl)phenyl]-, methyl ester

CAS Number:

175276-89-8

Molecular Formula:

C13H10F3NO3

Molecular Weight:

285.2186

MDL Number:

MFCD00100442

IUPAC Name:

methyl 3-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate

InChI:

InChI=1S/C13H10F3NO3/c1-7-10(12(18)19-2)11(20-17-7)8-3-5-9(6-4-8)13(14,15)16/h3-6H,1-2H3

InChI Key:

JFXVMJOLMJJRDX-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(C)noc1c1ccc(cc1)C(F)(F)F

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.222g/mol

Monoisotopic Mass:

285.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2