Name: Name:4,4,4-Trifluoro-1-(o-tolyl)butane-1,3-dione
Brand: Angene
SKU: AG001TYY
Rating: 90 (10 reviews)

4,4,4-Trifluoro-1-(o-tolyl)butane-1,3-dione

CAS No.:

163266-02-2

Catalog Number:

AG001TYY

Molecular Formula:

C11H9F3O2

Molecular Weight:

230.1832

Catalog Number:

AG001TYY

Chemical Name:

4,4,4-Trifluoro-1-(o-tolyl)butane-1,3-dione

CAS Number:

163266-02-2

Molecular Formula:

C11H9F3O2

Molecular Weight:

230.1832

MDL Number:

MFCD03420671

IUPAC Name:

4,4,4-trifluoro-1-(2-methylphenyl)butane-1,3-dione

InChI:

InChI=1S/C11H9F3O2/c1-7-4-2-3-5-8(7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3

InChI Key:

NSWJGKUEKYWEEF-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)CC(=O)c1ccccc1C

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.186g/mol

Monoisotopic Mass:

230.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9