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Home > Boronic Acids > 162607-18-3
162607-18-3 | (5-Chlorothiophen-2-yl)boronic acid
CAS No: 162607-18-3 Catalog No: AG003MP4 MDL No:MFCD00236030
Product Description
Catalog Number:
AG003MP4
Chemical Name:
(5-Chlorothiophen-2-yl)boronic acid
CAS Number:
162607-18-3
Molecular Formula:
C4H4BClO2S
Molecular Weight:
162.4024
MDL Number:
MFCD00236030
IUPAC Name:
(5-chlorothiophen-2-yl)boronic acid
InChI:
InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
InChI Key:
JFCLNCVCDFUJPO-UHFFFAOYSA-N
SMILES:
OB(c1ccc(s1)Cl)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:
161.971g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.394g/mol
Monoisotopic Mass:
161.971g/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 |
|---|---|
| Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. | Journal of medicinal chemistry 20091008 |
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