Home Other Building Blocks trans-3-(4-Bromothiophen-2-yl)acrylic acid

trans-3-(4-Bromothiophen-2-yl)acrylic acid

CAS No.:
103686-16-4
Catalog Number:
AG003UWZ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003UWZ
Chemical Name:
trans-3-(4-Bromothiophen-2-yl)acrylic acid
CAS Number:
103686-16-4
MDL Number:
MFCD00051662
IUPAC Name:
(E)-3-(4-bromothiophen-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H5BrO2S/c8-5-3-6(11-4-5)1-2-7(9)10/h1-4H,(H,9,10)/b2-1+
InChI Key:
VHKFUECAKTYKCR-OWOJBTEDSA-N
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
231.919g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.079g/mol
Monoisotopic Mass:
231.919g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A). Bioorganic & medicinal chemistry letters 20110501
Properties