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930-96-1 | 3-Bromothiophene-2-carboxaldehyde
CAS No: 930-96-1 Catalog No: AG003J5D MDL No:MFCD00126680
Product Description
Catalog Number:
AG003J5D
Chemical Name:
3-Bromothiophene-2-carboxaldehyde
CAS Number:
930-96-1
Molecular Formula:
C5H3BrOS
Molecular Weight:
191.0457
MDL Number:
MFCD00126680
IUPAC Name:
3-bromothiophene-2-carbaldehyde
InChI:
InChI=1S/C5H3BrOS/c6-4-1-2-8-5(4)3-7/h1-3H
InChI Key:
BCZHCWCOQDRYGS-UHFFFAOYSA-N
SMILES:
O=Cc1sccc1Br
Properties
Complexity:
96.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.909g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.042g/mol
Monoisotopic Mass:
189.909g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Discovery of 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists. | Journal of medicinal chemistry 20111027 |
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