Name: Name:4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE
Brand: Angene
SKU: AG00DHYP
Rating: 90 (10 reviews)

4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE

CAS No.:

53764-99-1

Catalog Number:

AG00DHYP

Molecular Formula:

C11H9F3O2

Molecular Weight:

230.1832

Catalog Number:

AG00DHYP

Chemical Name:

4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE

CAS Number:

53764-99-1

Molecular Formula:

C11H9F3O2

Molecular Weight:

230.1832

MDL Number:

MFCD11849497

IUPAC Name:

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

InChI:

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

InChI Key:

VOFWLZQTWRLBTR-UHFFFAOYSA-N

SMILES:

Cc1cccc(c1)C(=O)CC(=O)C(F)(F)F

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