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Home > Boronic Acids > 172872-73-0
172872-73-0 | Boronic acid, (4-bromo-3,5-dimethyl-2-thienyl)-
CAS No: 172872-73-0 Catalog No: AG007CB8 MDL No:
Product Description
Catalog Number:
AG007CB8
Chemical Name:
Boronic acid, (4-bromo-3,5-dimethyl-2-thienyl)-
CAS Number:
172872-73-0
Molecular Formula:
C6H8BBrO2S
Molecular Weight:
234.9065
IUPAC Name:
(4-bromo-3,5-dimethylthiophen-2-yl)boronic acid
InChI:
InChI=1S/C6H8BBrO2S/c1-3-5(8)4(2)11-6(3)7(9)10/h9-10H,1-2H3
InChI Key:
IFURVKXPSNUGPP-UHFFFAOYSA-N
SMILES:
OB(c1sc(c(c1C)Br)C)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.952g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.902g/mol
Monoisotopic Mass:
233.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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