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141103-66-4 | Pentanedioic acid, 2-[2-(6-chloro-3-pyridazinyl)hydrazinylidene]-
CAS No: 141103-66-4 Catalog No: AG001FWE MDL No:
Product Description
Catalog Number:
AG001FWE
Chemical Name:
Pentanedioic acid, 2-[2-(6-chloro-3-pyridazinyl)hydrazinylidene]-
CAS Number:
141103-66-4
Molecular Formula:
C9H9ClN4O4
Molecular Weight:
272.6452
IUPAC Name:
2-[(6-chloropyridazin-3-yl)hydrazinylidene]pentanedioic acid
InChI:
InChI=1S/C9H9ClN4O4/c10-6-2-3-7(14-12-6)13-11-5(9(17)18)1-4-8(15)16/h2-3H,1,4H2,(H,13,14)(H,15,16)(H,17,18)
InChI Key:
KQGIZMJAOPOGBC-UHFFFAOYSA-N
SMILES:
OC(=O)C(=NNc1ccc(nn1)Cl)CCC(=O)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.645g/mol
Monoisotopic Mass:
272.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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