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932-22-9 | 4,5-Dichloro-3(2H)-pyridazinone
CAS No: 932-22-9 Catalog No: AG0033V4 MDL No:MFCD00051504
Product Description
Catalog Number:
AG0033V4
Chemical Name:
4,5-Dichloro-3(2H)-pyridazinone
CAS Number:
932-22-9
Molecular Formula:
C4H2Cl2N2O
Molecular Weight:
164.9775
MDL Number:
MFCD00051504
IUPAC Name:
4,5-dichloro-1H-pyridazin-6-one
InChI:
InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)
InChI Key:
VJWXIRQLLGYIDI-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)cn[nH]c1=O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.954g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.973g/mol
Monoisotopic Mass:
163.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Vibrational spectra and potential energy distributions for 4,5-dichloro-3-hydroxypyridazine by density functional theory and normal coordinate calculations. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050901 |
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