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Also known as: 215527-70-1, (2,3,4,5,6-pentadeuteriophenyl)boronic acid, Mfcd02093711, Phenyl-d5-boronicacid, (phenyl-d5)boronicacid, (phenyl-d5)boronic acid
Molecular Formula
C6H7BO2
Molecular Weight
126.96  g/mol
InChI Key
HXITXNWTGFUOAU-RALIUCGRSA-N

215527-70-1
1 2D Structure

215527-70-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2,3,4,5,6-pentadeuteriophenyl)boronic acid
2.1.2 InChI
InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H/i1D,2D,3D,4D,5D
2.1.3 InChI Key
HXITXNWTGFUOAU-RALIUCGRSA-N
2.1.4 Canonical SMILES
B(C1=CC=CC=C1)(O)O
2.1.5 Isomeric SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])B(O)O)[2H])[2H]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 215527-70-1

2. (2,3,4,5,6-pentadeuteriophenyl)boronic Acid

3. Mfcd02093711

4. Phenyl-d5-boronicacid

5. (phenyl-d5)boronicacid

6. (phenyl-d5)boronic Acid

7. Amy003

8. Schembl1872827

9. (~2~h_5_)phenylboronic Acid

10. Dtxsid20584110

11. Hxitxnwtgfuoau-raliucgrsa-n

12. Zb0610

13. Akos015943422

14. As-57707

15. [(2,3,4,5,6-(2)h?)phenyl]boronic Acid

16. A858067

17. Phenyl-d5-boronic Acid, 98 Atom % D, 98% (cp)

2.3 Create Date
2007-07-12
3 Chemical and Physical Properties
Molecular Weight 126.96 g/mol
Molecular Formula C6H7BO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area40.5
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

BUILDING BLOCK

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