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Valeryl Bromide

CAT: 0931-TYD-01009-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-01009-01Size:1 g
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CAS Number
1889-26-5
Bioactivity
Valeryl Bromide is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
CCCCC(=O)Br
Molecular Formula
C5H9BrO
Molecular Weight
165.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Valeryl Bromide

See also: n-Valeryl Bromide (annotation moved to).

CAS Number1889-26-5
PubChem CID11137484
IUPAC Namepentanoyl bromide
Molecular FormulaC5H9BrO
Molecular Weight165.03
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity61
SMILES
CCCCC(=O)Br
InChI
InChI=1S/C5H9BrO/c1-2-3-4-5(6)7/h2-4H2,1H3
InChIKey
FDOHPUYPQQKECS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Valeryl Bromide
CAS: 1889-26-5
CID: 11137484
Formula: C5H9BrO
MW: 165.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.03
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass163.98368
Monoisotopic Mass163.98368
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity61.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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