1,3-Butanedione, 4,4,4-trifluoro-1-(3-methoxyphenyl)-


Chemical Name: 1,3-Butanedione, 4,4,4-trifluoro-1-(3-methoxyphenyl)-
CAS Number: 57965-21-6
Product Number: AG00EA5B(AGN-PC-0KSS7U)
Synonyms:
MDL No: MFCD03419769
Molecular Formula: C11H9F3O3
Molecular Weight: 246.1826

Identification/Properties


Computed Properties
Molecular Weight:
246.185g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
246.05g/mol
Monoisotopic Mass:
246.05g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
299
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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