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10531-41-6 | 2-Bromo-1-(thiophen-2-yl)ethanone
CAS No: 10531-41-6 Catalog No: AG003GLU MDL No:MFCD02677721
Product Description
Catalog Number:
AG003GLU
Chemical Name:
2-Bromo-1-(thiophen-2-yl)ethanone
CAS Number:
10531-41-6
Molecular Formula:
C6H5BrOS
Molecular Weight:
205.0723
MDL Number:
MFCD02677721
IUPAC Name:
2-bromo-1-thiophen-2-ylethanone
InChI:
InChI=1S/C6H5BrOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChI Key:
UHWNENCHFSDZQP-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccs1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.924g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.069g/mol
Monoisotopic Mass:
203.924g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| (1-Phenyl-sulfonyl-1H-indol-2-yl)(thio-phen-2-yl)methanone. | Acta crystallographica. Section E, Structure reports online 20110301 |
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