3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-one


Chemical Name: 3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-one
CAS Number: 13541-06-5
Product Number: AG01DTBI(AG01DTBI)
Synonyms:
MDL No:
Molecular Formula: C9H6F3NO3
Molecular Weight: 233.1440

Identification/Properties


Computed Properties
Molecular Weight:
233.146g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
233.03g/mol
Monoisotopic Mass:
233.03g/mol
Topological Polar Surface Area:
62.9A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
285
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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