Phenyl-d5-boronic acid

CAT: 1568-C04886Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1568-C04886Size:100 mg

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CAS Number

215527-70-1

SKU

C04886-100mg

Additionnal Information

Phenyl-d5-boronic acid is the deuterated form of phenylboronic acid. Phenylboronic acid is a biochemical reagent.

Chemical Information

Phenyl-d5-boronic acid

See also: Phenylboronic Acid (annotation moved to).

CAS Number	215527-70-1
PubChem CID	16213772
IUPAC Name	(2,3,4,5,6-pentadeuteriophenyl)boronic acid
Molecular Formula	C6H7BO2
Molecular Weight	126.96
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	79

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

CAS: 215527-70-1

CID: 16213772

Formula: C6H7BO2

MW: 126.96

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.96
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	127.0852934
Monoisotopic Mass	127.0852934
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	79.1
Isotope Atom Count	5
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

Catalog	Name
HY-W067615-01	Phenyl-boronic acid-d5
sc-228935	Phenyl-d5-boronic acid
300744	Phenyl Boronic Acid-d5 98%D (ZEOtope®)
JH917175	(7- (phenyl-d5) naphthalen-2-yl) boronic acid
TRC-C988622-25MG	Cyclopropyl-d5-boronic Acid
TRC-H714598-250MG	Hydrocinnamic-d5 Acid (phenyl-d5)
NPBA-05	NuGel Phenyl Boronic Acid
NPBA-10	NuGel™ Phenyl Boronic Acid
OR315715-01	Phenyl boronic acid anhydride
N661407	Norcarfentanil Acid (Phenyl-d5)