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825633-93-0 | 2-Benzyl-5-iodopyridazin-3(2H);-one
CAS No: 825633-93-0 Catalog No: AG0053NY MDL No:MFCD17677016
Product Description
Catalog Number:
AG0053NY
Chemical Name:
2-Benzyl-5-iodopyridazin-3(2H);-one
CAS Number:
825633-93-0
Molecular Formula:
C11H9IN2O
Molecular Weight:
312.1064
MDL Number:
MFCD17677016
IUPAC Name:
2-benzyl-5-iodopyridazin-3-one
InChI:
InChI=1S/C11H9IN2O/c12-10-6-11(15)14(13-7-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
LLOBDGYMMSDMEV-UHFFFAOYSA-N
SMILES:
Ic1cnn(c(=O)c1)Cc1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.11g/mol
Monoisotopic Mass:
311.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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