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Home > Boronic Acids > 884010-25-7
884010-25-7 | (5-Bromobenzo[b]thiophen-2-yl);boronic acid
CAS No: 884010-25-7 Catalog No: AG003BXR MDL No:MFCD06801728
Product Description
Catalog Number:
AG003BXR
Chemical Name:
(5-Bromobenzo[b]thiophen-2-yl);boronic acid
CAS Number:
884010-25-7
Molecular Formula:
C8H6BBrO2S
Molecular Weight:
256.9120
MDL Number:
MFCD06801728
IUPAC Name:
(5-bromo-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C8H6BBrO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
InChI Key:
RUQKSUMPFAJLNQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(s2)B(O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.936g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.908g/mol
Monoisotopic Mass:
255.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy. | Journal of medicinal chemistry 20071115 |
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