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Home > Fluorides > 138345-45-6
138345-45-6 | 1-Penten-4-yn-3-one, 5-(4-fluorophenyl)-1-phenyl-
CAS No: 138345-45-6 Catalog No: AG0018L6 MDL No:
Product Description
Catalog Number:
AG0018L6
Chemical Name:
1-Penten-4-yn-3-one, 5-(4-fluorophenyl)-1-phenyl-
CAS Number:
138345-45-6
Molecular Formula:
C17H11FO
Molecular Weight:
250.2670
IUPAC Name:
5-(4-fluorophenyl)-1-phenylpent-1-en-4-yn-3-one
InChI:
InChI=1S/C17H11FO/c18-16-10-6-15(7-11-16)9-13-17(19)12-8-14-4-2-1-3-5-14/h1-8,10-12H
InChI Key:
BBHZHASZWJVUCV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C#CC(=O)C=Cc1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.272g/mol
Monoisotopic Mass:
250.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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