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16461-34-0 | 3(2H)-Pyridazinone, 4-chloro-2-phenyl-5-[(phenylmethyl)thio]-
CAS No: 16461-34-0 Catalog No: AG001UYZ MDL No:
Product Description
Catalog Number:
AG001UYZ
Chemical Name:
3(2H)-Pyridazinone, 4-chloro-2-phenyl-5-[(phenylmethyl)thio]-
CAS Number:
16461-34-0
Molecular Formula:
C17H13ClN2OS
Molecular Weight:
328.8159
IUPAC Name:
5-benzylsulfanyl-4-chloro-2-phenylpyridazin-3-one
InChI:
InChI=1S/C17H13ClN2OS/c18-16-15(22-12-13-7-3-1-4-8-13)11-19-20(17(16)21)14-9-5-2-6-10-14/h1-11H,12H2
InChI Key:
SRBNYWJSFPWEON-UHFFFAOYSA-N
SMILES:
O=c1c(Cl)c(SCc2ccccc2)cnn1c1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.814g/mol
Monoisotopic Mass:
328.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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