methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate


Chemical Name: methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate
CAS Number: 80912-51-2
Product Number: AG00GJIF(AGN-PC-02V6EX)
Synonyms:
MDL No: MFCD22423113
Molecular Formula: C14H15FO3
Molecular Weight: 250.2655

Identification/Properties


Computed Properties
Molecular Weight:
250.269g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
250.101g/mol
Monoisotopic Mass:
250.101g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
322
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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