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Home > Fluorides > 199664-70-5
199664-70-5 | Benzenepentanoic acid, 2-fluoro-δ-oxo-
CAS No: 199664-70-5 Catalog No: AG002C9X MDL No:MFCD01320116
Product Description
Catalog Number:
AG002C9X
Chemical Name:
Benzenepentanoic acid, 2-fluoro-δ-oxo-
CAS Number:
199664-70-5
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
MDL Number:
MFCD01320116
IUPAC Name:
5-(2-fluorophenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C11H11FO3/c12-9-5-2-1-4-8(9)10(13)6-3-7-11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15)
InChI Key:
JLWPLUVEHPUZJI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1ccccc1F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.204g/mol
Monoisotopic Mass:
210.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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