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Home > Boronic Acids > 1251731-71-1
1251731-71-1 | 1H-Pyrazole-1-ethanol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-acetate
CAS No: 1251731-71-1 Catalog No: AG000NAL MDL No:MFCD14707223
Product Description
Catalog Number:
AG000NAL
Chemical Name:
1H-Pyrazole-1-ethanol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-acetate
CAS Number:
1251731-71-1
Molecular Formula:
C13H21BN2O4
Molecular Weight:
280.1278
MDL Number:
MFCD14707223
IUPAC Name:
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl acetate
InChI:
InChI=1S/C13H21BN2O4/c1-10(17)18-7-6-16-9-11(8-15-16)14-19-12(2,3)13(4,5)20-14/h8-9H,6-7H2,1-5H3
InChI Key:
CGAGMVSOBGQIPT-UHFFFAOYSA-N
SMILES:
CC(=O)OCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
359
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:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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