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Home > Fluorides > 828282-62-8
828282-62-8 | 1-Octanone, 7-fluoro-3,7-dimethyl-1-phenyl-
CAS No: 828282-62-8 Catalog No: AG0055P2 MDL No:
Product Description
Catalog Number:
AG0055P2
Chemical Name:
1-Octanone, 7-fluoro-3,7-dimethyl-1-phenyl-
CAS Number:
828282-62-8
Molecular Formula:
C16H23FO
Molecular Weight:
250.3516
IUPAC Name:
7-fluoro-3,7-dimethyl-1-phenyloctan-1-one
InChI:
InChI=1S/C16H23FO/c1-13(8-7-11-16(2,3)17)12-15(18)14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3
InChI Key:
KXFHPNWKTQRRGX-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccccc1)CCCC(F)(C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.357g/mol
Monoisotopic Mass:
250.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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