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Home > Fluorides > 1443312-70-6
1443312-70-6 | Methyl 5-(3-fluorophenyl)-3-methyl-5-oxovalerate
CAS No: 1443312-70-6 Catalog No: AG01F9KD MDL No:
Product Description
Catalog Number:
AG01F9KD
Chemical Name:
Methyl 5-(3-fluorophenyl)-3-methyl-5-oxovalerate
CAS Number:
1443312-70-6
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
IUPAC Name:
methyl 5-(3-fluorophenyl)-3-methyl-5-oxopentanoate
InChI:
InChI=1S/C13H15FO3/c1-9(7-13(16)17-2)6-12(15)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7H2,1-2H3
InChI Key:
UBVMPZTZIOBRRH-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CC(=O)c1cccc(c1)F)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.258g/mol
Monoisotopic Mass:
238.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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