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Home > Boronic Acids > 864754-33-6
864754-33-6 | 1H-Pyrazole,1-(2,2-dimethoxyethyl)-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 864754-33-6 Catalog No: AG004MQ3 MDL No:
Product Description
Catalog Number:
AG004MQ3
Chemical Name:
1H-Pyrazole,1-(2,2-dimethoxyethyl)-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
864754-33-6
Molecular Formula:
C15H27BN2O4
Molecular Weight:
310.1969
IUPAC Name:
1-(2,2-dimethoxyethyl)-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C15H27BN2O4/c1-10-13(16-21-14(3,4)15(5,6)22-16)11(2)18(17-10)9-12(19-7)20-8/h12H,9H2,1-8H3
InChI Key:
GPDPQVHSZMWXMV-UHFFFAOYSA-N
SMILES:
COC(Cn1nc(c(c1C)B1OC(C(O1)(C)C)(C)C)C)OC
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.206g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.201g/mol
Monoisotopic Mass:
310.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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