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69579-06-2 | Acetic acid, [(6-chloro-3-pyridazinyl)hydrazono]-, ethyl ester
CAS No: 69579-06-2 Catalog No: AG005K4C MDL No:
Product Description
Catalog Number:
AG005K4C
Chemical Name:
Acetic acid, [(6-chloro-3-pyridazinyl)hydrazono]-, ethyl ester
CAS Number:
69579-06-2
Molecular Formula:
C8H9ClN4O2
Molecular Weight:
228.6357
IUPAC Name:
ethyl 2-[(6-chloropyridazin-3-yl)hydrazinylidene]acetate
InChI:
InChI=1S/C8H9ClN4O2/c1-2-15-8(14)5-10-12-7-4-3-6(9)11-13-7/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
XMHYMUJSAGJEBY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=NNc1ccc(nn1)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.636g/mol
Monoisotopic Mass:
228.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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