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Home > Fluorides > 852569-02-9
852569-02-9 | 3-Hexanone, 6,6,6-trifluoro-2,2-dimethyl-5-(phenylimino)-
CAS No: 852569-02-9 Catalog No: AG004PTF MDL No:
Product Description
Catalog Number:
AG004PTF
Chemical Name:
3-Hexanone, 6,6,6-trifluoro-2,2-dimethyl-5-(phenylimino)-
CAS Number:
852569-02-9
Molecular Formula:
C14H16F3NO
Molecular Weight:
271.2781
IUPAC Name:
6,6,6-trifluoro-2,2-dimethyl-5-phenyliminohexan-3-one
InChI:
InChI=1S/C14H16F3NO/c1-13(2,3)12(19)9-11(14(15,16)17)18-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChI Key:
PCNOWJGDKBMZND-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CC(=Nc1ccccc1)C(F)(F)F
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.118g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.283g/mol
Monoisotopic Mass:
271.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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