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Structure

1-(1-Ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

CAS
1029716-44-6
Catalog Number
ACM1029716446
Category
Other Products
Molecular Weight
266.15g/mol
Molecular Formula
C13H23BN2O3

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Specification

IUPAC Name
1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)OCC
InChI
InChI=1S/C13H23BN2O3/c1-7-17-10(2)16-9-11(8-15-16)14-18-12(3,4)13(5,6)19-14/h8-10H,7H2,1-6H3
InChI Key
IZKVGEWCELXYRI-UHFFFAOYSA-N
Complexity
309
Covalently-Bonded Unit Count
1
EC Number
689-230-6
Exact Mass
266.180173g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
19
Monoisotopic Mass
266.180173g/mol
Rotatable Bond Count
4
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