Name: Name:methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate
Brand: Angene
SKU: AG01BVRJ
Rating: 90 (10 reviews)

methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate

CAS No.:

126402-01-5

Catalog Number:

AG01BVRJ

Molecular Formula:

C12H11F3O4

Molecular Weight:

276.2085

Catalog Number:

AG01BVRJ

Chemical Name:

methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate

CAS Number:

126402-01-5

Molecular Formula:

C12H11F3O4

Molecular Weight:

276.2085

MDL Number:

MFCD02647498

IUPAC Name:

methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate

InChI:

InChI=1S/C12H11F3O4/c1-19-10(17)11(18,12(13,14)15)7-9(16)8-5-3-2-4-6-8/h2-6,18H,7H2,1H3

InChI Key:

JAPSHNKZJDVTJI-UHFFFAOYSA-N

SMILES:

COC(=O)C(C(F)(F)F)(CC(=O)c1ccccc1)O

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

276.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.211g/mol

Monoisotopic Mass:

276.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7