5-Fluoro-2- (phenylethynyl) benzaldehyde

CAT: 0127-PC1001391Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1001391Size:1 g

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CAS Number

943835-77-6

MDL Number

MFCD28359713

Purity

95%

Smiles

O=CC(C=C(F)C=C1)=C1C#CC2=CC=CC=C2

Chemical Information

5-Fluoro-2-(phenylethynyl)benzaldehyde

CAS Number	943835-77-6
PubChem CID	46237651
IUPAC Name	5-fluoro-2-(2-phenylethynyl)benzaldehyde
Molecular Formula	C15H9FO
Molecular Weight	224.23
XLogP	3.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	318

SMILES

C1=CC=C(C=C1)C#CC2=C(C=C(C=C2)F)C=O

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

InChIKey

CVVZKIZTBMTKLW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 943835-77-6

CID: 46237651

Formula: C15H9FO

MW: 224.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.23
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	224.063743068
Monoisotopic Mass	224.063743068
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	318
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1074498-01	5-Chloro-2- (phenylethynyl) benzaldehyde
OR958562-01	2- (Phenylethynyl) benzaldehyde
OR25608-01	4- (2-Phenylethynyl) benzaldehyde
OR51556-01	3- (Phenylethynyl) benzaldehyde
PC1022673-01	5-Fluoro-2- (methoxymethoxy) benzaldehyde
PC1014069	2-Fluoro-5- (methoxymethyl) benzaldehyde
PC1017984-01	5- (cyclohexylmethoxy) -2-fluoro-Benzaldehyde
PC302684-01	2-Fluoro-5- (pentafluorosulfur) benzaldehyde
PC303002-01	5-Fluoro-2- (trifluoromethoxy) benzaldehyde
PC501383	2-Fluoro-5- (methylsulphonyl) benzaldehyde

Catalog	Name
GTR19254425-01	5-Chloro-2- (phenylethynyl) benzaldehyde
FP140496-01	4- (Phenylethynyl) benzaldehyde
sc-313515	3-Phenylethynyl-benzaldehyde
sc-262600	5-Fluoro-2- (trifluoromethyl) benzaldehyde
sc-225380	2-Fluoro-5- (trifluoromethyl) benzaldehyde
sc-318744	5-Fluoro-2- (methylsulfonyl) benzaldehyde
STB46081	5-Fluoro-2- (trifluoromethoxy) benzaldehyde
276039-01	5-Fluoro-2-hydroxy benzaldehyde
abx181239-01	Benzaldehyde,2-fluoro-5-iodo-
sc-318745	5-Fluoro-2- (N-morpholino) -benzaldehyde