3,4,5-Trifluorophenylacetylene

CAT: 0024-sc-356786ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-356786ASize:5 g

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CAS Number

158816-55-8

Chemical Information

5-Ethynyl-1,2,3-trifluorobenzene

CAS Number	158816-55-8
PubChem CID	22709071
IUPAC Name	5-ethynyl-1,2,3-trifluorobenzene
Molecular Formula	C8H3F3
Molecular Weight	156.10
XLogP	2.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	169

SMILES

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

InChI

InChI=1S/C8H3F3/c1-2-5-3-6(9)8(11)7(10)4-5/h1,3-4H

InChIKey

BZXWRVPVZZZAKB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 158816-55-8

CID: 22709071

Formula: C8H3F3

MW: 156.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.10
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	156.01868458
Monoisotopic Mass	156.01868458
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	169
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
PC9819-01	3,4,5-Trifluorophenylacetylene
PC5433	3,3,4,4,5,5,5-Heptafluoropentanal
FH146375-01	3,3'4,4'5,5'-Hexabromobiphenyl
427188-01	3,4,5,3',4',5'-Hexabromobiphenyl
TRC-H295058-250MG	3,3',4,4',5,5'-Hexachlorobiphenyl
AR-B07324-01	3,3',4,4',5,5'-Hexabromodiphenyl
159871	2,3,3',4,4',5,5'-Heptabromobiphenyl
TRC-H998688-250MG	2,3,3',4,4',5,5'-Heptachlorobiphenyl
433578-01	4,4'-Diamino-3,3',5,5'-tetrabromobiphenyl
RG-A262637-01	2,3,3',4,4',5,5'- Heptabromobiphenyl