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Home > Boronic Acids > 162607-17-2
162607-17-2 | 5-BROMOTHIOPHENE-2-BORONIC ACID
CAS No: 162607-17-2 Catalog No: AG00AOJ2 MDL No:MFCD02094028
Product Description
Catalog Number:
AG00AOJ2
Chemical Name:
5-BROMOTHIOPHENE-2-BORONIC ACID
CAS Number:
162607-17-2
Molecular Formula:
C4H4BBrO2S
Molecular Weight:
206.8534
MDL Number:
MFCD02094028
IUPAC Name:
(5-bromothiophen-2-yl)boronic acid
InChI:
InChI=1S/C4H4BBrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
InChI Key:
USJPOBDLWVCPGG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(s1)Br)O
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.921g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.848g/mol
Monoisotopic Mass:
205.921g/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 |
|---|---|
| Structure-activity relationship for aryl and heteroaryl boronic acid inhibitors of hormone-sensitive lipase. | Bioorganic & medicinal chemistry 20050315 |
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