5-Bromo-2-fluorophenylacetylene

CAT: 0127-PC49283-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC49283-01Size:250 mg

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CAS Number

657427-46-8

Synonyms

4-Bromo-2-ethynyl-1-fluorobenzene

MDL Number

MFCD08703533

Purity

=95%

Smiles

Fc1ccc(Br)cc1C#C

Storage Conditions

Store at 2-8°C

Chemical Information

4-Bromo-2-ethynyl-1-fluorobenzene

CAS Number	657427-46-8
PubChem CID	53422396
IUPAC Name	4-bromo-2-ethynyl-1-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)Br)F

InChI

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

InChIKey

RSXICCZXXOLXIG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 657427-46-8

CID: 53422396

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

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