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144092-02-4 | Pyridazine, 6-chloro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-
CAS No: 144092-02-4 Catalog No: AG001IWE MDL No:
Product Description
Catalog Number:
AG001IWE
Chemical Name:
Pyridazine, 6-chloro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-
CAS Number:
144092-02-4
Molecular Formula:
C13H13ClN2O3S
Molecular Weight:
312.7719
IUPAC Name:
6-chloro-3-methoxy-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
InChI:
InChI=1S/C13H13ClN2O3S/c1-9-3-5-11(6-4-9)20(17,18)8-10-7-12(14)15-16-13(10)19-2/h3-7H,8H2,1-2H3
InChI Key:
OLHPDWNINYGHFH-UHFFFAOYSA-N
SMILES:
COc1nnc(cc1CS(=O)(=O)c1ccc(cc1)C)Cl
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.034g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.768g/mol
Monoisotopic Mass:
312.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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