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Arsenocholine Bromide

CAT: 0572-TRC-A778550-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A778550-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71802-31-8
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[Br-].C[As+](C)(C)CCO
Molecular Formula
C5 H14 As O . Br
Molecular Weight
244.99
InChI
InChI=1S/C5H14AsO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
Additionnal Information
IUPAC name: 2-hydroxyethyl(trimethyl)arsanium;bromide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Hydroxyethyl(trimethyl)arsanium;bromide
CAS Number71802-31-8
PubChem CID153366
IUPAC Name2-hydroxyethyl(trimethyl)arsanium bromide
Molecular FormulaC5H14AsBrO
Molecular Weight244.99
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity46
SMILES
C[As+](C)(C)CCO.[Br-]
InChI
InChI=1S/C5H14AsO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
ROAOPYVPUIYJGC-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-Hydroxyethyl(trimethyl)arsanium;bromide
CAS: 71802-31-8
CID: 153366
Formula: C5H14AsBrO
MW: 244.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.99
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass243.94440
Monoisotopic Mass243.94440
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity46.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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