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Home > Fluorides > 129369-12-6
129369-12-6 | Methanone, (4-ethynylphenyl)(4-fluorophenyl)-
CAS No: 129369-12-6 Catalog No: AG000Z3O MDL No:
Product Description
Catalog Number:
AG000Z3O
Chemical Name:
Methanone, (4-ethynylphenyl)(4-fluorophenyl)-
CAS Number:
129369-12-6
Molecular Formula:
C15H9FO
Molecular Weight:
224.2298
IUPAC Name:
(4-ethynylphenyl)-(4-fluorophenyl)methanone
InChI:
InChI=1S/C15H9FO/c1-2-11-3-5-12(6-4-11)15(17)13-7-9-14(16)10-8-13/h1,3-10H
InChI Key:
MODRPVWJQWLKJF-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)C(=O)c1ccc(cc1)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.234g/mol
Monoisotopic Mass:
224.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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