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177540-87-3 | 3-Thiopheneacetic acid, 5-(4-bromophenyl)-
CAS No: 177540-87-3 Catalog No: AG0025E0 MDL No:
Product Description
Catalog Number:
AG0025E0
Chemical Name:
3-Thiopheneacetic acid, 5-(4-bromophenyl)-
CAS Number:
177540-87-3
Molecular Formula:
C12H9BrO2S
Molecular Weight:
297.1677
IUPAC Name:
2-[5-(4-bromophenyl)thiophen-3-yl]acetic acid
InChI:
InChI=1S/C12H9BrO2S/c13-10-3-1-9(2-4-10)11-5-8(7-16-11)6-12(14)15/h1-5,7H,6H2,(H,14,15)
InChI Key:
YZBMEWUWIDBYSH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(c1)c1ccc(cc1)Br
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.166g/mol
Monoisotopic Mass:
295.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity relationships of 5-phenylthiophenecarboxylic acid derivatives as antirheumatic agents. | Bioorganic & medicinal chemistry 20031103 |
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