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Home > Boronic Acids > 1256346-41-4
1256346-41-4 | Boronic acid, B-(5-acetyl-4-bromo-2-thienyl)-
CAS No: 1256346-41-4 Catalog No: AG000O27 MDL No:MFCD16660286
Product Description
Catalog Number:
AG000O27
Chemical Name:
Boronic acid, B-(5-acetyl-4-bromo-2-thienyl)-
CAS Number:
1256346-41-4
Molecular Formula:
C6H6BBrO3S
Molecular Weight:
248.8900
MDL Number:
MFCD16660286
IUPAC Name:
(5-acetyl-4-bromothiophen-2-yl)boronic acid
InChI:
InChI=1S/C6H6BBrO3S/c1-3(9)6-4(8)2-5(12-6)7(10)11/h2,10-11H,1H3
InChI Key:
AVLZJKRBNRJJMY-UHFFFAOYSA-N
SMILES:
OB(c1cc(c(s1)C(=O)C)Br)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.885g/mol
Monoisotopic Mass:
247.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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