5-Ethynylbenzofuran

CAT: 0127-OR1051018-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1051018-01Size:100 mg

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CAS Number

1158745-04-0

MDL Number

MFCD12406298

Purity

95%

Smiles

C#CC1=CC=C(OC=C2)C2=C1

Chemical Information

5-Ethynylbenzofuran

CAS Number	1158745-04-0
PubChem CID	17842427
IUPAC Name	5-ethynyl-1-benzofuran
Molecular Formula	C10H6O
Molecular Weight	142.15
XLogP	2.6
Topological Polar Surface Area	13.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	188

SMILES

C#CC1=CC2=C(C=C1)OC=C2

InChI

InChI=1S/C10H6O/c1-2-8-3-4-10-9(7-8)5-6-11-10/h1,3-7H

InChIKey

NFOIHYYIUMHKKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1158745-04-0

CID: 17842427

Formula: C10H6O

MW: 142.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.15
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	142.041864811
Monoisotopic Mass	142.041864811
Topological Polar Surface Area	13.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	188
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
OR1099487-01	5-ethylbenzofuran
OR1083350-01	5-ethylbenzofuran-2-carbaldehyde
OR1088267-01	2-Bromo-5-ethylbenzofuran
OR1085472-01	5-ethylbenzofuran-2-carboxylic acid
OR1073627-01	5-Ethylbenzofuran-3-carboxylic acid
OR1083715-01	(5-ethylbenzofuran-2-yl) boronic acid
OR911327-01	2-Ethylbenzofuran
PC7318-01	5,5,5-Trifluoropentanonitrile
OR1058406-01	5,5',5'',5'''-Methanetetrayltetrakis (2-hydroxybenzaldehyde)
PC4455-01	5,5,5-Trifluoropentanoic acid

Catalog	Name
JH915297	5-Ethynylbenzofuran
sc-262725	5,5,5-Trifluorovaleronitrile
234404-01	5,5,5-Trifluoronorvaline
PDA86661	5,5,5-Trifluoropentanonitrile
JH238299	5,5,5-trifluoroleucine
AKA25347-01	5,5,5-Trifluoropentanal
TRC-F632600-2.5G	N-Fmoc-5,5,5,5',5',5'-Hexafluoro-L-leucine
459053	N-Fmoc-5,5,5,5',5',5'-Hexafluoro-L-leucine discontinued
437116-01	5,5,5-Trifluorovaleric Acid
D3187-83B	5’-Deoxy-5-fluorouridine (5’dUrd, 5-Fluoro-5’-deoxyuridine)