1,1-Difluoropentane-2,4-dione


Chemical Name: 1,1-Difluoropentane-2,4-dione
CAS Number: 41739-23-5
Product Number: AG00C6AK(AGN-PC-0WB5MP)
Synonyms:
MDL No: MFCD02254117
Molecular Formula: C5H6F2O2
Molecular Weight: 136.0967

Identification/Properties


Computed Properties
Molecular Weight:
136.098g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
136.034g/mol
Monoisotopic Mass:
136.034g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
131
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
Danger
UN#:
1993
Hazard Statements:
H225-H315-H319-H335
Precautionary Statements:
P210-P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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