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Home > Boronic Acids > 1430845-70-7
1430845-70-7 | 1H-Pyrazole, 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-
CAS No: 1430845-70-7 Catalog No: AG00IM7E MDL No:
Product Description
Catalog Number:
AG00IM7E
Chemical Name:
1H-Pyrazole, 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-
CAS Number:
1430845-70-7
Molecular Formula:
C21H33BN2O2
Molecular Weight:
356.3099
IUPAC Name:
1-(1-adamantylmethyl)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C21H33BN2O2/c1-14-18(22-25-19(2,3)20(4,5)26-22)12-23-24(14)13-21-9-15-6-16(10-21)8-17(7-15)11-21/h12,15-17H,6-11,13H2,1-5H3
InChI Key:
XNIJJGBXXBCFFI-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1C)CC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.264g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.317g/mol
Monoisotopic Mass:
356.264g/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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