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1766-85-4 | 1-Heptanone, 1-(4-fluorophenyl)-
CAS No: 1766-85-4 Catalog No: AG0024RT MDL No:
Product Description
Catalog Number:
AG0024RT
Chemical Name:
1-Heptanone, 1-(4-fluorophenyl)-
CAS Number:
1766-85-4
Molecular Formula:
C13H17FO
Molecular Weight:
208.2719
IUPAC Name:
1-(4-fluorophenyl)heptan-1-one
InChI:
InChI=1S/C13H17FO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3
InChI Key:
XSLBFDHIAHPUBK-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)c1ccc(cc1)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.276g/mol
Monoisotopic Mass:
208.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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