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Home > Fluorides > 131831-98-6
131831-98-6 | Ethanone, 2,2,2-trifluoro-1-(2-methyl-1-naphthalenyl)-
CAS No: 131831-98-6 Catalog No: AG000ZSP MDL No:
Product Description
Catalog Number:
AG000ZSP
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-(2-methyl-1-naphthalenyl)-
CAS Number:
131831-98-6
Molecular Formula:
C13H9F3O
Molecular Weight:
238.2052
IUPAC Name:
2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanone
InChI:
InChI=1S/C13H9F3O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(17)13(14,15)16/h2-7H,1H3
InChI Key:
SVCSLYJRHLULLM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1C(=O)C(F)(F)F)cccc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.209g/mol
Monoisotopic Mass:
238.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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