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Home > Boronic Acids > 1002334-09-9
1002334-09-9 | 1H-Pyrazole, 4-butyl-1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1002334-09-9 Catalog No: AG0001AM MDL No:
Product Description
Catalog Number:
AG0001AM
Chemical Name:
1H-Pyrazole, 4-butyl-1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1002334-09-9
Molecular Formula:
C19H27BN2O2
Molecular Weight:
326.2409
IUPAC Name:
4-butyl-1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C19H27BN2O2/c1-6-7-11-15-14-22(16-12-9-8-10-13-16)21-17(15)20-23-18(2,3)19(4,5)24-20/h8-10,12-14H,6-7,11H2,1-5H3
InChI Key:
IROPYDKQHVFHNB-UHFFFAOYSA-N
SMILES:
CCCCc1cn(nc1B1OC(C(O1)(C)C)(C)C)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.217g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.247g/mol
Monoisotopic Mass:
326.217g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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