Name: Name:4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzoic acid
Brand: Angene
SKU: AG01BE34
Rating: 90 (10 reviews)

4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzoic acid

CAS No.:

1147531-71-2

Catalog Number:

AG01BE34

Molecular Formula:

C11H11F3O2

Molecular Weight:

232.1990

Catalog Number:

AG01BE34

Chemical Name:

4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzoic acid

CAS Number:

1147531-71-2

Molecular Formula:

C11H11F3O2

Molecular Weight:

232.1990

MDL Number:

MFCD28063771

IUPAC Name:

4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzoic acid

InChI:

InChI=1S/C11H11F3O2/c1-10(2,11(12,13)14)8-5-3-7(4-6-8)9(15)16/h3-6H,1-2H3,(H,15,16)

InChI Key:

JQQDGCDRCFTWBK-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)C(C(F)(F)F)(C)C

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.202g/mol

Monoisotopic Mass:

232.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4