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113641-51-3 | 3(2H)-Pyridazinone, 4,5-dichloro-2-[[(4-chlorophenyl)thio]methyl]-
CAS No: 113641-51-3 Catalog No: AG00097L MDL No:
Product Description
Catalog Number:
AG00097L
Chemical Name:
3(2H)-Pyridazinone, 4,5-dichloro-2-[[(4-chlorophenyl)thio]methyl]-
CAS Number:
113641-51-3
Molecular Formula:
C11H7Cl3N2OS
Molecular Weight:
321.6101
IUPAC Name:
4,5-dichloro-2-[(4-chlorophenyl)sulfanylmethyl]pyridazin-3-one
InChI:
InChI=1S/C11H7Cl3N2OS/c12-7-1-3-8(4-2-7)18-6-16-11(17)10(14)9(13)5-15-16/h1-5H,6H2
InChI Key:
CIMUKPWUGKDEDY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SCn1ncc(c(c1=O)Cl)Cl
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.934g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.6g/mol
Monoisotopic Mass:
319.934g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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