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Home > Boronic Acids > 1220968-24-0
1220968-24-0 | 1H-Pyrazole-1-acetic acid, α-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No: 1220968-24-0 Catalog No: AG0016QA MDL No:MFCD18383249
Product Description
Catalog Number:
AG0016QA
Chemical Name:
1H-Pyrazole-1-acetic acid, α-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
1220968-24-0
Molecular Formula:
C14H23BN2O4
Molecular Weight:
294.1544
MDL Number:
MFCD18383249
IUPAC Name:
ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate
InChI:
InChI=1S/C14H23BN2O4/c1-7-19-12(18)10(2)17-9-11(8-16-17)15-20-13(3,4)14(5,6)21-15/h8-10H,7H2,1-6H3
InChI Key:
ZOJGQOTZUPOALJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
386
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:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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