2-Bromo-5-fluorophenylacetylene

CAT: 0127-PC56836-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC56836-01Size:250 mg

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CAS Number

1693887-36-3

Synonyms

1-Bromo-2-ethynyl-4-fluorobenzene

MDL Number

MFCD29046530

Purity

96%

Smiles

Fc1cccc(c1)C#CBr

Storage Conditions

Store at 2-8°C

Chemical Information

1-Bromo-2-ethynyl-4-fluorobenzene

CAS Number	1693887-36-3
PubChem CID	108401826
IUPAC Name	1-bromo-2-ethynyl-4-fluorobenzene
Molecular Formula	C8H4BrF
Molecular Weight	199.02
XLogP	3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	158

SMILES

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

InChI

InChI=1S/C8H4BrF/c1-2-6-5-7(10)3-4-8(6)9/h1,3-5H

InChIKey

AOYQTHKVWSCVIP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1693887-36-3

CID: 108401826

Formula: C8H4BrF

MW: 199.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.02
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	197.94804
Monoisotopic Mass	197.94804
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158
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
PC49283-01	5-Bromo-2-fluorophenylacetylene
PC56839-01	3-Bromo-5-fluorophenylacetylene
PC56837-01	3-Bromo-2-fluorophenylacetylene
PC49284-01	2-Bromo-6-fluorophenylacetylene
PC50301	2-Bromo-5-chloro-4-fluorophenylacetylene
PC501445	4-Bromo-2-Chloro-5-fluorophenylacetylene
PC51222-01	2-Bromo-3-fluorophenylacetylene
PC49260-01	2-Bromo-4-fluorophenylacetylene
PC49319-01	4-Bromo-2-fluorophenylacetylene
PC501804	3-Bromo-2-chloro-6-fluorophenylacetylene

Catalog	Name
TSC88736	2-Bromo-5-fluorophenylacetylene
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HSB67001-01	2-Bromo-4-fluorophenylacetylene
RXB06307-01	4-Bromo-3-fluorophenylacetylene
276555-01	2-Fluorophenylacetylene
MBS6063361-01	Cyclopropyl 2-Fluorophenylacetylene
sc-216842	4-Fluorophenylacetylene
425796-01	3-Fluorophenylacetylene
IQB11239-01	4-Amino-3-fluorophenylacetylene
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