Name: Name:1,3-Butanedione, 1-(1,3-benzodioxol-5-yl)-4,4,4-trifluoro-
Brand: Angene
SKU: AG0030UH
Rating: 90 (10 reviews)

1,3-Butanedione, 1-(1,3-benzodioxol-5-yl)-4,4,4-trifluoro-

CAS No.:

306935-39-7

Catalog Number:

AG0030UH

Molecular Formula:

C11H7F3O4

Molecular Weight:

260.1661

Catalog Number:

AG0030UH

Chemical Name:

1,3-Butanedione, 1-(1,3-benzodioxol-5-yl)-4,4,4-trifluoro-

CAS Number:

306935-39-7

Molecular Formula:

C11H7F3O4

Molecular Weight:

260.1661

MDL Number:

MFCD01570563

IUPAC Name:

1-(1,3-benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione

InChI:

InChI=1S/C11H7F3O4/c12-11(13,14)10(16)4-7(15)6-1-2-8-9(3-6)18-5-17-8/h1-3H,4-5H2

InChI Key:

FDLJUCOQPAGQNY-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)CC(=O)c1ccc2c(c1)OCO2

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.168g/mol

Monoisotopic Mass:

260.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6