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1000574-14-0 | 2-Chloro-6-(4-methylphenyl)-4H-thiopyran-4-one
CAS No: 1000574-14-0 Catalog No: AG01F9YS MDL No:
Product Description
Catalog Number:
AG01F9YS
Chemical Name:
2-Chloro-6-(4-methylphenyl)-4H-thiopyran-4-one
CAS Number:
1000574-14-0
Molecular Formula:
C12H9ClOS
Molecular Weight:
236.7173
IUPAC Name:
2-chloro-6-(4-methylphenyl)thiopyran-4-one
InChI:
InChI=1S/C12H9ClOS/c1-8-2-4-9(5-3-8)11-6-10(14)7-12(13)15-11/h2-7H,1H3
InChI Key:
KZIYVQWWFNUWFG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(=O)cc(s1)Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.713g/mol
Monoisotopic Mass:
236.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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