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Home > Boronic Acids > 1619991-78-4
1619991-78-4 | 1H-Pyrazole, 3-ethyl-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1619991-78-4 Catalog No: AG001SL3 MDL No:MFCD23740616
Product Description
Catalog Number:
AG001SL3
Chemical Name:
1H-Pyrazole, 3-ethyl-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1619991-78-4
Molecular Formula:
C12H21BN2O2
Molecular Weight:
236.1183
MDL Number:
MFCD23740616
IUPAC Name:
3-ethyl-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H21BN2O2/c1-7-10-9(8-15(6)14-10)13-16-11(2,3)12(4,5)17-13/h8H,7H2,1-6H3
InChI Key:
YLKPOHNZXRNSDB-UHFFFAOYSA-N
SMILES:
CCc1nn(cc1B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.17g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.122g/mol
Monoisotopic Mass:
236.17g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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