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Home > Boronic Acids > 914672-66-5
914672-66-5 | 1-TERT-BUTYLOXYCARBONYLPYRAZOLE-3-BORONIC ACID PINACOL ESTER
CAS No: 914672-66-5 Catalog No: AG00GTGJ MDL No:MFCD07368045
Product Description
Catalog Number:
AG00GTGJ
Chemical Name:
1-TERT-BUTYLOXYCARBONYLPYRAZOLE-3-BORONIC ACID PINACOL ESTER
CAS Number:
914672-66-5
Molecular Formula:
C14H23BN2O4
Molecular Weight:
294.1544
MDL Number:
MFCD07368045
IUPAC Name:
tert-butyl 3-(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)17-9-8-10(16-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3
InChI Key:
AGQGGUKSXYRZFJ-UHFFFAOYSA-N
SMILES:
O=C(n1ccc(n1)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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