2-(1-Phenyl-1H-1,2,3-triazol-4-yl)-boronic acid MIDA ester

NAVIGATION

PRICE INQUIRY

Catalog Number

ACMA00015408

Product Name

2-(1-Phenyl-1H-1,2,3-triazol-4-yl)-boronic acid MIDA ester

Category

Salt

IUPAC Name

6-methyl-2-(1-phenyltriazol-4-yl)-1,3,6,2-dioxazaborocane-4,8-dione

Molecular Weight

300.08g/mol

Molecular Formula

C13H13BN4O4

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CN(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H13BN4O4/c1-17-8-12(19)21-14(22-13(20)9-17)11-7-18(16-15-11)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3

InChI Key

HTDHAOUYVRWZCP-UHFFFAOYSA-N

Complexity

412

Covalently-Bonded Unit Count

Exact Mass

300.102985g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

300.102985g/mol

Rotatable Bond Count

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