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581-90-8 | 2-(Trifluoromethyl)naphthalene
CAS No: 581-90-8 Catalog No: AG01EWJ7 MDL No:
Product Description
Catalog Number:
AG01EWJ7
Chemical Name:
2-(Trifluoromethyl)naphthalene
CAS Number:
581-90-8
Molecular Formula:
C11H7F3
Molecular Weight:
196.1685
IUPAC Name:
2-(trifluoromethyl)naphthalene
InChI:
InChI=1S/C11H7F3/c12-11(13,14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChI Key:
PKMYQFCVFSVGAT-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)cccc2)(F)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.172g/mol
Monoisotopic Mass:
196.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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