Name: Name:3,3,3-trifluoro-2-[(2,4,6-trimethylphenyl)methyl]propanoic acid
Brand: Angene
SKU: AG01A2PP
Rating: 90 (10 reviews)

3,3,3-trifluoro-2-[(2,4,6-trimethylphenyl)methyl]propanoic acid

CAS No.:

1219921-41-1

Catalog Number:

AG01A2PP

Molecular Formula:

C13H15F3O2

Molecular Weight:

260.2522

Catalog Number:

AG01A2PP

Chemical Name:

3,3,3-trifluoro-2-[(2,4,6-trimethylphenyl)methyl]propanoic acid

CAS Number:

1219921-41-1

Molecular Formula:

C13H15F3O2

Molecular Weight:

260.2522

MDL Number:

MFCD22578687

IUPAC Name:

3,3,3-trifluoro-2-[(2,4,6-trimethylphenyl)methyl]propanoic acid

InChI:

InChI=1S/C13H15F3O2/c1-7-4-8(2)10(9(3)5-7)6-11(12(17)18)13(14,15)16/h4-5,11H,6H2,1-3H3,(H,17,18)

InChI Key:

VQOXLVKBGAJOGT-UHFFFAOYSA-N

SMILES:

OC(=O)C(C(F)(F)F)Cc1c(C)cc(cc1C)C

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.256g/mol

Monoisotopic Mass:

260.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9