Furanone C-56

CAT: 0862-GW3062-10mgSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0862-GW3062-10mgSize:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

199744-38-2

Storage Conditions

-20°C

Hazardous Class

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Chemical Information

5-(Bromomethylidene)furan-2(5H)-one

CAS Number	199744-38-2
PubChem CID	67228360
IUPAC Name	5-(bromomethylidene)furan-2-one
Molecular Formula	C5H3BrO2
Molecular Weight	174.98
XLogP	1.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	169

SMILES

C1=CC(=O)OC1=CBr

InChI

InChI=1S/C5H3BrO2/c6-3-4-1-2-5(7)8-4/h1-3H

InChIKey

LKFZLSZOWSMZDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 199744-38-2

CID: 67228360

Formula: C5H3BrO2

MW: 174.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.98
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	173.93164
Monoisotopic Mass	173.93164
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
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	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes