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Home > Boronic Acids > 1111095-99-8
1111095-99-8 | 5-BroMo-4-Methylthiophene-2-boronic acid, pinacol ester
CAS No: 1111095-99-8 Catalog No: AG00947D MDL No:MFCD12405479
Product Description
Catalog Number:
AG00947D
Chemical Name:
5-BroMo-4-Methylthiophene-2-boronic acid, pinacol ester
CAS Number:
1111095-99-8
Molecular Formula:
C11H16BBrO2S
Molecular Weight:
303.0235
MDL Number:
MFCD12405479
IUPAC Name:
2-(5-bromo-4-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C11H16BBrO2S/c1-7-6-8(16-9(7)13)12-14-10(2,3)11(4,5)15-12/h6H,1-5H3
InChI Key:
BHDPHFRKQRKEPW-UHFFFAOYSA-N
SMILES:
Cc1cc(sc1Br)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.021g/mol
Monoisotopic Mass:
302.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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