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Home > Boronic Acids > 942069-55-8
942069-55-8 | 2-(3-BROMO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS No: 942069-55-8 Catalog No: AG005SN6 MDL No:
Product Description
Catalog Number:
AG005SN6
Chemical Name:
2-(3-BROMO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS Number:
942069-55-8
Molecular Formula:
C18H20BBrO2S
Molecular Weight:
391.1302
IUPAC Name:
2-(3-bromo-5-phenylsulfanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C18H20BBrO2S/c1-17(2)18(3,4)22-19(21-17)13-10-14(20)12-16(11-13)23-15-8-6-5-7-9-15/h5-12H,1-4H3
InChI Key:
QLGBIRSPZGMGCY-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)Sc1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.046g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.13g/mol
Monoisotopic Mass:
390.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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