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123418-66-6 | Ethanone, 1-(5-bromo-4-chloro-2-thienyl)-
CAS No: 123418-66-6 Catalog No: AG000KJX MDL No:
Product Description
Catalog Number:
AG000KJX
Chemical Name:
Ethanone, 1-(5-bromo-4-chloro-2-thienyl)-
CAS Number:
123418-66-6
Molecular Formula:
C6H4BrClOS
Molecular Weight:
239.5174
IUPAC Name:
1-(5-bromo-4-chlorothiophen-2-yl)ethanone
InChI:
InChI=1S/C6H4BrClOS/c1-3(9)5-2-4(8)6(7)10-5/h2H,1H3
InChI Key:
FSZXWJHCTQQQGZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(c(s1)Br)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.885g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.511g/mol
Monoisotopic Mass:
237.885g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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