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Home > Boronic Acids > 844891-04-9
844891-04-9 | 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 844891-04-9 Catalog No: AG008HX0 MDL No:MFCD06659062
Product Description
Catalog Number:
AG008HX0
Chemical Name:
1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
844891-04-9
Molecular Formula:
C12H21BN2O2
Molecular Weight:
236.1183
MDL Number:
MFCD06659062
IUPAC Name:
1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H21BN2O2/c1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13/h1-7H3
InChI Key:
IZNGYNMIIVJWSO-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1B1OC(C(O1)(C)C)(C)C)C)C
Properties
Complexity:
293
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:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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