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Home > Boronic Acids > 1402174-61-1
1402174-61-1 | N-Boc-5-methylpyrazole-3-boronic acid pinacol ester
CAS No: 1402174-61-1 Catalog No: AG019GDN MDL No:MFCD21099685
Product Description
Catalog Number:
AG019GDN
Chemical Name:
N-Boc-5-methylpyrazole-3-boronic acid pinacol ester
CAS Number:
1402174-61-1
Molecular Formula:
C15H25BN2O4
Molecular Weight:
308.1810
MDL Number:
MFCD21099685
IUPAC Name:
tert-butyl 5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
InChI:
InChI=1S/C15H25BN2O4/c1-10-9-11(16-21-14(5,6)15(7,8)22-16)17-18(10)12(19)20-13(2,3)4/h9H,1-8H3
InChI Key:
FRISRJSQKQZPGS-UHFFFAOYSA-N
SMILES:
O=C(n1nc(cc1C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.191g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.185g/mol
Monoisotopic Mass:
308.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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