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Phenyl-boronic acid-d5

CAT: 0804-HY-W067615-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W067615-01Size:1 g
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Description
Phenyl-boronic acid-d5 (Boronic acid, B- (phenyl-2,3,4,5,6) -d5) is the deuterium labeled Phenylboronic acid. Phenylboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
215527-70-1
Product Name Alternative
Boronic acid, B- (phenyl-2,3,4,5,6) -d5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.99
Smiles
[2H]C1=C(B(O)O)C([2H])=C([2H])C([2H])=C1[2H]
Molecular Formula
C6H2D5BO2
Molecular Weight
126.96
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Phenyl-d5-boronic acid

See also: Phenylboronic Acid (annotation moved to).

CAS Number215527-70-1
PubChem CID16213772
IUPAC Name(2,3,4,5,6-pentadeuteriophenyl)boronic acid
Molecular FormulaC6H7BO2
Molecular Weight126.96
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity79
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])B(O)O)[2H])[2H]
InChI
InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H/i1D,2D,3D,4D,5D
InChIKey
HXITXNWTGFUOAU-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of Phenyl-d5-boronic acid
CAS: 215527-70-1
CID: 16213772
Formula: C6H7BO2
MW: 126.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass127.0852934
Monoisotopic Mass127.0852934
Topological Polar Surface Area40.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity79.1
Isotope Atom Count5
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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