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Home > Boronic Acids > 1256359-20-2
1256359-20-2 | 1,3,2-Dioxaborolane, 2-[3-bromo-5-(methylthio)phenyl]-4,4,5,5-tetramethyl-
CAS No: 1256359-20-2 Catalog No: AG000O7C MDL No:MFCD16618966
Product Description
Catalog Number:
AG000O7C
Chemical Name:
1,3,2-Dioxaborolane, 2-[3-bromo-5-(methylthio)phenyl]-4,4,5,5-tetramethyl-
CAS Number:
1256359-20-2
Molecular Formula:
C13H18BBrO2S
Molecular Weight:
329.0608
MDL Number:
MFCD16618966
IUPAC Name:
2-(3-bromo-5-methylsulfanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BBrO2S/c1-12(2)13(3,4)17-14(16-12)9-6-10(15)8-11(7-9)18-5/h6-8H,1-5H3
InChI Key:
WPCGZCGXKQLVBR-UHFFFAOYSA-N
SMILES:
CSc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.059g/mol
Monoisotopic Mass:
328.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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