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Home > Boronic Acids > 1217501-16-0
1217501-16-0 | Boronic acid, B-(5-bromo-4-methyl-2-thienyl)-
CAS No: 1217501-16-0 Catalog No: AG0015SM MDL No:MFCD12913941
Product Description
Catalog Number:
AG0015SM
Chemical Name:
Boronic acid, B-(5-bromo-4-methyl-2-thienyl)-
CAS Number:
1217501-16-0
Molecular Formula:
C5H6BBrO2S
Molecular Weight:
220.8799
MDL Number:
MFCD12913941
IUPAC Name:
(5-bromo-4-methylthiophen-2-yl)boronic acid
InChI:
InChI=1S/C5H6BBrO2S/c1-3-2-4(6(8)9)10-5(3)7/h2,8-9H,1H3
InChI Key:
UOYBEXPZKLEGAF-UHFFFAOYSA-N
SMILES:
OB(c1cc(c(s1)Br)C)O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.936g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.875g/mol
Monoisotopic Mass:
219.936g/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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