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88541-87-1 | 3(2H)-Pyridazinone, 6-(3-bromophenyl)-4,5-dihydro-4-(2-propenylthio)-
CAS No: 88541-87-1 Catalog No: AG004FQU MDL No:
Product Description
Catalog Number:
AG004FQU
Chemical Name:
3(2H)-Pyridazinone, 6-(3-bromophenyl)-4,5-dihydro-4-(2-propenylthio)-
CAS Number:
88541-87-1
Molecular Formula:
C13H13BrN2OS
Molecular Weight:
325.2241
IUPAC Name:
3-(3-bromophenyl)-5-prop-2-enylsulfanyl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C13H13BrN2OS/c1-2-6-18-12-8-11(15-16-13(12)17)9-4-3-5-10(14)7-9/h2-5,7,12H,1,6,8H2,(H,16,17)
InChI Key:
ITEQLSUUKNGWLQ-UHFFFAOYSA-N
SMILES:
C=CCSC1CC(=NNC1=O)c1cccc(c1)Br
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.993g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.224g/mol
Monoisotopic Mass:
323.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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