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88541-66-6 | 3(2H)-Pyridazinone, 6-(3-bromophenyl)-4,5-dihydro-4-(methylthio)-
CAS No: 88541-66-6 Catalog No: AG004FV2 MDL No:
Product Description
Catalog Number:
AG004FV2
Chemical Name:
3(2H)-Pyridazinone, 6-(3-bromophenyl)-4,5-dihydro-4-(methylthio)-
CAS Number:
88541-66-6
Molecular Formula:
C11H11BrN2OS
Molecular Weight:
299.1868
IUPAC Name:
3-(3-bromophenyl)-5-methylsulfanyl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C11H11BrN2OS/c1-16-10-6-9(13-14-11(10)15)7-3-2-4-8(12)5-7/h2-5,10H,6H2,1H3,(H,14,15)
InChI Key:
AIVUXIVFISWMOF-UHFFFAOYSA-N
SMILES:
CSC1CC(=NNC1=O)c1cccc(c1)Br
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.978g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.186g/mol
Monoisotopic Mass:
297.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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