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Home > Boronic Acids > 827614-66-4
827614-66-4 | 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS No: 827614-66-4 Catalog No: AG004TQ3 MDL No:MFCD05663857
Product Description
Catalog Number:
AG004TQ3
Chemical Name:
1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS Number:
827614-66-4
Molecular Formula:
C13H23BN2O2
Molecular Weight:
250.1449
MDL Number:
MFCD05663857
IUPAC Name:
1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C13H23BN2O2/c1-10(2)8-16-9-11(7-15-16)14-17-12(3,4)13(5,6)18-14/h7,9-10H,8H2,1-6H3
InChI Key:
YMEBZRNYQBODKB-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.185g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.149g/mol
Monoisotopic Mass:
250.185g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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