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137272-68-5 | Ethanone, 1-(2-bromo-3-thienyl)-
CAS No: 137272-68-5 Catalog No: AG001314 MDL No:
Product Description
Catalog Number:
AG001314
Chemical Name:
Ethanone, 1-(2-bromo-3-thienyl)-
CAS Number:
137272-68-5
Molecular Formula:
C6H5BrOS
Molecular Weight:
205.0723
IUPAC Name:
1-(2-bromothiophen-3-yl)ethanone
InChI:
InChI=1S/C6H5BrOS/c1-4(8)5-2-3-9-6(5)7/h2-3H,1H3
InChI Key:
ZHHOBQRITJIZBU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccsc1Br
Properties
Complexity:
126
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:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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