1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one

2.1.2 InChI

InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-11-10(8-9)16(5)12(17)18-11/h6-8H,1-5H3

2.1.3 InChI Key

VXXBZTDHBOGQDX-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1220696-32-1

2. 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2(3h)-one

3. Refchem:503941

4. 875-088-4

5. Mfcd18383775

6. 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one

7. 2(3h)-benzoxazolone, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

8. 3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-ylboronic Acid Pinacol Ester

9. Schembl782545

10. Vxxbztdhbogqdx-uhfffaoysa-n

11. Vyb69632

12. 3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-ylboronic Acid, Pinacol Ester

13. At10697

14. Da-23347

15. Sy350469

16. Cs-0096713

17. 3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-5-boronic Acid Pinacol Ester

18. 3-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3h-benzooxazol-2-one

2.3 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈BNO₄
Molecular Weight	275.11 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	48
Heavy Atom Count	20
Formal Charge	0
Complexity	409
Isotope Atom Count	0
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

CAS 1220696-32-1