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88804-46-0 | 3(2H)-Pyridazinone, 6-chloro-2-methyl-5-(phenylamino)-
CAS No: 88804-46-0 Catalog No: AG004AHI MDL No:
Product Description
Catalog Number:
AG004AHI
Chemical Name:
3(2H)-Pyridazinone, 6-chloro-2-methyl-5-(phenylamino)-
CAS Number:
88804-46-0
Molecular Formula:
C11H10ClN3O
Molecular Weight:
235.6696
IUPAC Name:
5-anilino-6-chloro-2-methylpyridazin-3-one
InChI:
InChI=1S/C11H10ClN3O/c1-15-10(16)7-9(11(12)14-15)13-8-5-3-2-4-6-8/h2-7,13H,1H3
InChI Key:
YHTQPCRMCPVGMF-UHFFFAOYSA-N
SMILES:
Clc1nn(C)c(=O)cc1Nc1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.671g/mol
Monoisotopic Mass:
235.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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