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Home > Boronic Acids > 552846-17-0
552846-17-0 | 1-Boc-pyrazole-4-boronic acid pinacol ester
CAS No: 552846-17-0 Catalog No: AG0035CO MDL No:MFCD05663873
Product Description
Catalog Number:
AG0035CO
Chemical Name:
1-Boc-pyrazole-4-boronic acid pinacol ester
CAS Number:
552846-17-0
Molecular Formula:
C14H23BN2O4
Molecular Weight:
294.1544
MDL Number:
MFCD05663873
IUPAC Name:
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
InChI:
InChI=1S/C14H23BN2O4/c1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3
InChI Key:
IPISOFJLWYBCAV-UHFFFAOYSA-N
SMILES:
O=C(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.175g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.158g/mol
Monoisotopic Mass:
294.175g/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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