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123736-52-7 | 2H-Thiopyran-3(4H)-one, 2-(2,4-dichlorobenzoyl)dihydro-
CAS No: 123736-52-7 Catalog No: AG000L17 MDL No:
Product Description
Catalog Number:
AG000L17
Chemical Name:
2H-Thiopyran-3(4H)-one, 2-(2,4-dichlorobenzoyl)dihydro-
CAS Number:
123736-52-7
Molecular Formula:
C12H10Cl2O2S
Molecular Weight:
289.1776
IUPAC Name:
2-(2,4-dichlorobenzoyl)thian-3-one
InChI:
InChI=1S/C12H10Cl2O2S/c13-7-3-4-8(9(14)6-7)11(16)12-10(15)2-1-5-17-12/h3-4,6,12H,1-2,5H2
InChI Key:
DMIMOUUTQZPSJY-UHFFFAOYSA-N
SMILES:
O=C1CCCSC1C(=O)c1ccc(cc1Cl)Cl
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.978g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.17g/mol
Monoisotopic Mass:
287.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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