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Home > Boronic Acids > 154566-69-5
154566-69-5 | (4-Bromo-5-methylthiophen-2-yl);boronic acid
CAS No: 154566-69-5 Catalog No: AG003BUR MDL No:MFCD09952079
Product Description
Catalog Number:
AG003BUR
Chemical Name:
(4-Bromo-5-methylthiophen-2-yl);boronic acid
CAS Number:
154566-69-5
Molecular Formula:
C5H6BBrO2S
Molecular Weight:
220.8799
MDL Number:
MFCD09952079
IUPAC Name:
(4-bromo-5-methylthiophen-2-yl)boronic acid
InChI:
InChI=1S/C5H6BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8-9H,1H3
InChI Key:
CVCCYVWSTHTZFM-UHFFFAOYSA-N
SMILES:
OB(c1cc(c(s1)C)Br)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
Literature
| Title | Journal |
|---|---|
| 4-{2-[5-(3,5-Difluoro-phen-yl)-2-methyl-thio-phen-3-yl]-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-en-1-yl}-1,5-dimethyl-pyrrole-2-carbonitrile. | Acta crystallographica. Section E, Structure reports online 20110401 |
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