1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester

Name: 1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester
SKU: ACM864754165-1
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Catalog NumberACM864754165-1

CAS Number864754-16-5

CategorySalt

IUPAC Name

ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate

Molecular Weight

280.13g/mol

Molecular Formula

C13H21BN2O4

Canonical SMILES

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

InChI

InChI=1S/C13H21BN2O4/c1-6-18-11(17)9-16-8-10(7-15-16)14-19-12(2,3)13(4,5)20-14/h7-8H,6,9H2,1-5H3

InChI Key

YUEZJHOSHBTWPV-UHFFFAOYSA-N

Complexity

359

Covalently-Bonded Unit Count

Exact Mass

280.159437g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

280.159437g/mol

Rotatable Bond Count

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