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Home > Boronic Acids > 1616930-46-1
1616930-46-1 | 3-(Ethoxycarbonyl)-1-methylpyrazole-5-boronic acid pinacol ester
CAS No: 1616930-46-1 Catalog No: AG00HYOZ MDL No:MFCD18250656
Product Description
Catalog Number:
AG00HYOZ
Chemical Name:
3-(Ethoxycarbonyl)-1-methylpyrazole-5-boronic acid pinacol ester
CAS Number:
1616930-46-1
Molecular Formula:
C13H21BN2O4
Molecular Weight:
280.1278
MDL Number:
MFCD18250656
IUPAC Name:
ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carboxylate
InChI:
InChI=1S/C13H21BN2O4/c1-7-18-11(17)9-8-10(16(6)15-9)14-19-12(2,3)13(4,5)20-14/h8H,7H2,1-6H3
InChI Key:
PAWIGDVBKPYTID-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.159g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.131g/mol
Monoisotopic Mass:
280.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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