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Home > Boronic Acids > 836637-10-6
836637-10-6 | 1,3,2-Diazaborolidine, 2-bromo-1,3-bis[(4-methylphenyl)sulfonyl]-
CAS No: 836637-10-6 Catalog No: AG008ILX MDL No:
Product Description
Catalog Number:
AG008ILX
Chemical Name:
1,3,2-Diazaborolidine, 2-bromo-1,3-bis[(4-methylphenyl)sulfonyl]-
CAS Number:
836637-10-6
Molecular Formula:
C16H18BBrN2O4S2
Molecular Weight:
457.1701
IUPAC Name:
2-bromo-1,3-bis-(4-methylphenyl)sulfonyl-1,3,2-diazaborolidine
InChI:
InChI=1S/C16H18BBrN2O4S2/c1-13-3-7-15(8-4-13)25(21,22)19-11-12-20(17(19)18)26(23,24)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChI Key:
GSMISULDXUGGEL-UHFFFAOYSA-N
SMILES:
BrB1N(CCN1S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.998g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.164g/mol
Monoisotopic Mass:
455.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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