Home Aldehydes 5-Fluoro-2-(phenylethynyl)benzaldehyde

5-Fluoro-2-(phenylethynyl)benzaldehyde

CAS No.:
943835-77-6
Catalog Number:
AG00II4C
Molecular Formula:
C15H9FO
Molecular Weight:
224.2298
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Product Description
Catalog Number:
AG00II4C
Chemical Name:
5-Fluoro-2-(phenylethynyl)benzaldehyde
CAS Number:
943835-77-6
Molecular Formula:
C15H9FO
Molecular Weight:
224.2298
MDL Number:
MFCD28359713
IUPAC Name:
5-fluoro-2-(2-phenylethynyl)benzaldehyde
InChI:
InChI=1S/C15H9FO/c16-15-9-8-13(14(10-15)11-17)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChI Key:
CVVZKIZTBMTKLW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)ccc1C#Cc1ccccc1
Properties
Complexity:
318  
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:
3.5  
Properties