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Home > Fluorides > 306935-39-7
306935-39-7 | 1,3-Butanedione, 1-(1,3-benzodioxol-5-yl)-4,4,4-trifluoro-
CAS No: 306935-39-7 Catalog No: AG0030UH MDL No:MFCD01570563
Product Description
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
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.168g/mol
Monoisotopic Mass:
260.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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