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123418-42-8 | Ethanone, 1-(4-chloro-5-methyl-2-thienyl)-
CAS No: 123418-42-8 Catalog No: AG000KK0 MDL No:
Product Description
Catalog Number:
AG000KK0
Chemical Name:
Ethanone, 1-(4-chloro-5-methyl-2-thienyl)-
CAS Number:
123418-42-8
Molecular Formula:
C7H7ClOS
Molecular Weight:
174.6479
IUPAC Name:
1-(4-chloro-5-methylthiophen-2-yl)ethanone
InChI:
InChI=1S/C7H7ClOS/c1-4(9)7-3-6(8)5(2)10-7/h3H,1-2H3
InChI Key:
UUKKDSXRSWZSIM-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(c(s1)C)Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.642g/mol
Monoisotopic Mass:
173.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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