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Home > Fluorides > 231630-85-6
231630-85-6 | Ethanone, 1-[3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazol-1-yl]-
CAS No: 231630-85-6 Catalog No: AG002MF3 MDL No:MFCD00153611
Product Description
Catalog Number:
AG002MF3
Chemical Name:
Ethanone, 1-[3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrazol-1-yl]-
CAS Number:
231630-85-6
Molecular Formula:
C11H4F14N2O
Molecular Weight:
446.1399
MDL Number:
MFCD00153611
IUPAC Name:
1-[3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-yl]ethanone
InChI:
InChI=1S/C11H4F14N2O/c1-3(28)27-5(7(14,15)9(18,19)11(23,24)25)2-4(26-27)6(12,13)8(16,17)10(20,21)22/h2H,1H3
InChI Key:
OYZWCKRGVSEGTK-UHFFFAOYSA-N
SMILES:
CC(=O)n1nc(cc1C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.01g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.144g/mol
Monoisotopic Mass:
446.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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