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942070-76-0 | 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-1H-IMIDAZOLE
CAS No: 942070-76-0 Catalog No: AG006OCY MDL No:
Product Description
Catalog Number:
AG006OCY
Chemical Name:
1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-1H-IMIDAZOLE
CAS Number:
942070-76-0
Molecular Formula:
C22H32B2N2O4
Molecular Weight:
410.1225
IUPAC Name:
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazole
InChI:
InChI=1S/C22H32B2N2O4/c1-19(2)20(3,4)28-23(27-19)16-13-11-10-12-15(16)18-25-14-17(26(18)9)24-29-21(5,6)22(7,8)30-24/h10-14H,1-9H3
InChI Key:
RVQGPRVXHKPPFV-UHFFFAOYSA-N
SMILES:
Cn1c(cnc1c1ccccc1B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.255g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.128g/mol
Monoisotopic Mass:
410.255g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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