200,000+ products from a single source!

sales@angenechem.com

Home > Bromides > 177540-87-3

177540-87-3

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

Related Products

© 2019 Angene International Limited. All rights Reserved.