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1385694-75-6 | Cyclohexanecarboxylic acid, 1-(3-fluoro-4-methoxyphenyl)-4-oxo-, methyl ester
CAS No: 1385694-75-6 Catalog No: AG0018RA MDL No:MFCD22423127
Product Description
Catalog Number:
AG0018RA
Chemical Name:
Cyclohexanecarboxylic acid, 1-(3-fluoro-4-methoxyphenyl)-4-oxo-, methyl ester
CAS Number:
1385694-75-6
Molecular Formula:
C15H17FO4
Molecular Weight:
280.2915
MDL Number:
MFCD22423127
IUPAC Name:
methyl 1-(3-fluoro-4-methoxyphenyl)-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C15H17FO4/c1-19-13-4-3-10(9-12(13)16)15(14(18)20-2)7-5-11(17)6-8-15/h3-4,9H,5-8H2,1-2H3
InChI Key:
FLTXTEIESIXFRR-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1ccc(c(c1)F)OC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.295g/mol
Monoisotopic Mass:
280.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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