Phenyl-D5-boronic acid
Properties
- Molecular formula
- C6H2D5BO2
- Molar mass
- 126.96 g/mol
- Exact mass
- 127.0853 Da
- logP
- -0.63Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
215527-70-1SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])B(O)O)[2H])[2H]InChIKey
HXITXNWTGFUOAU-RALIUCGRSA-NInChI
InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H/i1D,2D,3D,4D,5DWeigh it out
Type any one amount. The others follow from the molar mass.
Work with Phenyl-D5-boronic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.