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Home > Fluorides > 126309-76-0
126309-76-0 | Benzene, 1-(2-phenylethynyl)-3-(trifluoromethyl)-
CAS No: 126309-76-0 Catalog No: AG000SJZ MDL No:
Product Description
Catalog Number:
AG000SJZ
Chemical Name:
Benzene, 1-(2-phenylethynyl)-3-(trifluoromethyl)-
CAS Number:
126309-76-0
Molecular Formula:
C15H9F3
Molecular Weight:
246.2272
IUPAC Name:
1-(2-phenylethynyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C15H9F3/c16-15(17,18)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChI Key:
GOHMAXPXJWRJIT-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)C#Cc1ccccc1)(F)F
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.232g/mol
Monoisotopic Mass:
246.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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