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Home > Boronic Acids > 1002334-06-6
1002334-06-6 | 1H-Pyrazole, 1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1002334-06-6 Catalog No: AG0001AN MDL No:MFCD16659793
Product Description
Catalog Number:
AG0001AN
Chemical Name:
1H-Pyrazole, 1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1002334-06-6
Molecular Formula:
C16H21BN2O2
Molecular Weight:
284.1611
MDL Number:
MFCD16659793
IUPAC Name:
1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)13-11-19(5)18-14(13)12-9-7-6-8-10-12/h6-11H,1-5H3
InChI Key:
NSSUPGLVAJXATA-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)c1ccccc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.17g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.166g/mol
Monoisotopic Mass:
284.17g/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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