Home Bromides 103686-16-4
103686-16-4,MFCD00051662
Catalog No.:AA003UU7

103686-16-4 | (2E)-3-(4-bromothiophen-2-yl)prop-2-enoic acid

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  • Technical Information
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Technical Information
Catalog Number:
AA003UU7
Chemical Name:
(2E)-3-(4-bromothiophen-2-yl)prop-2-enoic acid
CAS Number:
103686-16-4
Molecular Formula:
C7H5BrO2S
Molecular Weight:
233.0824
MDL Number:
MFCD00051662
SMILES:
OC(=O)/C=C/c1cc(cs1)Br
Properties
Computed Properties
 
Complexity:
181  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.3  

Literature

Title: Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).

Journal: Bioorganic & medicinal chemistry letters 20110501

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Tags:103686-16-4 Molecular Formula|103686-16-4 MDL|103686-16-4 SMILES|103686-16-4 (2E)-3-(4-bromothiophen-2-yl)prop-2-enoic acid