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Home > Boronic Acids > 1310404-98-8
1310404-98-8 | 4-Bromo-5-methyl-thiophene-2-boronic acid pinacol ester
CAS No: 1310404-98-8 Catalog No: AG00HSC6 MDL No:MFCD08063142
Product Description
Catalog Number:
AG00HSC6
Chemical Name:
4-Bromo-5-methyl-thiophene-2-boronic acid pinacol ester
CAS Number:
1310404-98-8
Molecular Formula:
C11H16BBrO2S
Molecular Weight:
303.0235
MDL Number:
MFCD08063142
IUPAC Name:
2-(4-bromo-5-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C11H16BBrO2S/c1-7-8(13)6-9(16-7)12-14-10(2,3)11(4,5)15-12/h6H,1-5H3
InChI Key:
FPIDNDGAFKWMHD-UHFFFAOYSA-N
SMILES:
Brc1cc(sc1C)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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