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102122-69-0 | Pyridazino[4,5-e]-1,2,4-triazin-5(6H)-one, 3-(2-chlorophenyl)-6-methyl-
CAS No: 102122-69-0 Catalog No: AG0006OC MDL No:
Product Description
Catalog Number:
AG0006OC
Chemical Name:
Pyridazino[4,5-e]-1,2,4-triazin-5(6H)-one, 3-(2-chlorophenyl)-6-methyl-
CAS Number:
102122-69-0
Molecular Formula:
C12H8ClN5O
Molecular Weight:
273.6778
IUPAC Name:
3-(2-chlorophenyl)-6-methylpyridazino[4,5-e][1,2,4]triazin-5-one
InChI:
InChI=1S/C12H8ClN5O/c1-18-12(19)10-9(6-14-18)16-17-11(15-10)7-4-2-3-5-8(7)13/h2-6H,1H3
InChI Key:
HOLZDKBIUPUXDY-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1nnc2c(n1)c(=O)n(nc2)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.68g/mol
Monoisotopic Mass:
273.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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