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101328-84-1 | 3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-, (5S)-
CAS No: 101328-84-1 Catalog No: AG00048H MDL No:
Product Description
Catalog Number:
AG00048H
Chemical Name:
3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-, (5S)-
CAS Number:
101328-84-1
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
(4S)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m0/s1
InChI Key:
GDMRFHZLKNYRRO-ZETCQYMHSA-N
SMILES:
C[C@H]1CC(=O)NN=C1c1ccc(cc1)N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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