4-Ethynylbiphenyl

CAT: 0127-OR21986-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR21986-01Size:1 g

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CAS Number

29079-00-3

MDL Number

MFCD00102191

Purity

95%

Smiles

C#Cc1ccc(cc1)c2ccccc2

Chemical Information

4-Ethynyl-1,1'-biphenyl

structure given in first source

CAS Number	29079-00-3
PubChem CID	34464
IUPAC Name	1-ethynyl-4-phenylbenzene
Molecular Formula	C14H10
Molecular Weight	178.23
XLogP	4.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	205

SMILES

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

InChI

InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H

InChIKey

BPBNKCIVWFCMJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29079-00-3

CID: 34464

Formula: C14H10

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	178.078250319
Monoisotopic Mass	178.078250319
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205
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
OR13996-01	4-Ethylbiphenyl
OR82621-01	4- (4-Ethynylphenyl) pyridine
OR72194-01	(4-Ethynylphenyl) trimethylsilane
OR1072391-01	(4-Ethynylphenyl) methanamine
OR1037397-01	(4-Ethynylphenyl) diphenylphosphane
OR1076975	S- (4-Ethynylphenyl) ethanethioate
OR1085878	4-Bromo-2-ethylbiphenyl
OR32480	N- (4-Ethynylphenyl) methanesulfonamide
OR1001212-01	(4-Ethynylphenyl) (methyl) sulfane
OR1012115-01	9- (4-Ethynylphenyl) Carbazole

Catalog	Name
sc-232668	4-Ethynylbiphenyl
159582	2-Ethynylbiphenyl-13C6
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine