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Home > Boronic Acids > 121758-17-6
121758-17-6 | 1,3,2-Diazaborolidine, 2-bromo-1,3-bis[(4-methylphenyl)sulfonyl]-4,5-diphenyl-, (4R,5R)-
CAS No: 121758-17-6 Catalog No: AG0015U0 MDL No:
Product Description
Catalog Number:
AG0015U0
Chemical Name:
1,3,2-Diazaborolidine, 2-bromo-1,3-bis[(4-methylphenyl)sulfonyl]-4,5-diphenyl-, (4R,5R)-
CAS Number:
121758-17-6
Molecular Formula:
C28H26BBrN2O4S2
Molecular Weight:
609.3620
IUPAC Name:
(4R,5R)-2-bromo-1,3-bis-(4-methylphenyl)sulfonyl-4,5-diphenyl-1,3,2-diazaborolidine
InChI:
InChI=1S/C28H26BBrN2O4S2/c1-21-13-17-25(18-14-21)37(33,34)31-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)32(29(31)30)38(35,36)26-19-15-22(2)16-20-26/h3-20,27-28H,1-2H3/t27-,28-/m1/s1
InChI Key:
PEEHKMHARMPWIU-VSGBNLITSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1[C@H](c2ccccc2)[C@H](N(B1Br)S(=O)(=O)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
909
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
608.061g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
609.36g/mol
Monoisotopic Mass:
608.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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