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Home > Boronic Acids > 863238-73-7
863238-73-7 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-1-trityl-1H-pyrazole
CAS No: 863238-73-7 Catalog No: AG004MBF MDL No:MFCD10698507
Product Description
Catalog Number:
AG004MBF
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-1-trityl-1H-pyrazole
CAS Number:
863238-73-7
Molecular Formula:
C28H29BN2O2
Molecular Weight:
436.3531
MDL Number:
MFCD10698507
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylpyrazole
InChI:
InChI=1S/C28H29BN2O2/c1-26(2)27(3,4)33-29(32-26)25-20-30-31(21-25)28(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-21H,1-4H3
InChI Key:
NJVKYFHOQLLDHU-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.232g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.362g/mol
Monoisotopic Mass:
436.232g/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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