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Home > Fluorides > 102584-03-2
102584-03-2 | Pyridinium, 1-[7,7,7-trifluoro-6-hydroxy-4-oxo-6-(trifluoromethyl)heptyl]-, chloride (1:1)
CAS No: 102584-03-2 Catalog No: AG0007TQ MDL No:
Product Description
Catalog Number:
AG0007TQ
Chemical Name:
Pyridinium, 1-[7,7,7-trifluoro-6-hydroxy-4-oxo-6-(trifluoromethyl)heptyl]-, chloride (1:1)
CAS Number:
102584-03-2
Molecular Formula:
C13H14ClF6NO2
Molecular Weight:
365.6992
IUPAC Name:
1,1,1-trifluoro-2-hydroxy-7-pyridin-1-ium-1-yl-2-(trifluoromethyl)heptan-4-one;chloride
InChI:
InChI=1S/C13H14F6NO2.ClH/c14-12(15,16)11(22,13(17,18)19)9-10(21)5-4-8-20-6-2-1-3-7-20;/h1-3,6-7,22H,4-5,8-9H2;1H/q+1;/p-1
InChI Key:
LWFPCDLIFRYMCV-UHFFFAOYSA-M
SMILES:
O=C(CC(C(F)(F)F)(C(F)(F)F)O)CCC[n+]1ccccc1.[Cl-]
NSC Number:
169076
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.7g/mol
Monoisotopic Mass:
365.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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