methyl 2-(4-fluorophenyl)-4-(3-methoxyphenyl)-4-oxobutanoate


Chemical Name: methyl 2-(4-fluorophenyl)-4-(3-methoxyphenyl)-4-oxobutanoate
CAS Number: 344280-52-0
Product Number: AG00IRRX(AGN-PC-0WAVU3)
Synonyms:
MDL No: MFCD00664390
Molecular Formula: C18H17FO4
Molecular Weight: 316.3236

Identification/Properties


Computed Properties
Molecular Weight:
316.328g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
316.111g/mol
Monoisotopic Mass:
316.111g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
404
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

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NMR Spectrum


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