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1247443-33-9 | 4-Fluorophenyl cycloheptyl ketone
CAS No: 1247443-33-9 Catalog No: AG01FEC1 MDL No:
Product Description
Catalog Number:
AG01FEC1
Chemical Name:
4-Fluorophenyl cycloheptyl ketone
CAS Number:
1247443-33-9
Molecular Formula:
C14H17FO
Molecular Weight:
220.2826
IUPAC Name:
cycloheptyl-(4-fluorophenyl)methanone
InChI:
InChI=1S/C14H17FO/c15-13-9-7-12(8-10-13)14(16)11-5-3-1-2-4-6-11/h7-11H,1-6H2
InChI Key:
OVLTXOZENDVMEM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)C1CCCCCC1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.287g/mol
Monoisotopic Mass:
220.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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