Home Boronic acids (3-(ethoxycarbonyl)-5-ethyl-1-methyl-1H-pyrazol-4-yl)boronic acid

(3-(ethoxycarbonyl)-5-ethyl-1-methyl-1H-pyrazol-4-yl)boronic acid

CAS No.:
1251760-88-9
Catalog Number:
AG01E66Q
Molecular Formula:
C15H25BN2O4
Molecular Weight:
308.1810
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Product Description
Catalog Number:
AG01E66Q
Chemical Name:
(3-(ethoxycarbonyl)-5-ethyl-1-methyl-1H-pyrazol-4-yl)boronic acid
CAS Number:
1251760-88-9
Molecular Formula:
C15H25BN2O4
Molecular Weight:
308.1810
MDL Number:
MFCD26392163
IUPAC Name:
ethyl 5-ethyl-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carboxylate
InChI:
InChI=1S/C15H25BN2O4/c1-8-10-11(12(17-18(10)7)13(19)20-9-2)16-21-14(3,4)15(5,6)22-16/h8-9H2,1-7H3
InChI Key:
CSVIYKNHXBBYIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1B1OC(C(O1)(C)C)(C)C)CC)C
Properties
Complexity:
414  
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:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties