4,6-Dichloro-3-pyridazinecarboxylic Acid - CAS 1040246-87-4
Catalog: |
BB067959 |
Product Name: |
4,6-Dichloro-3-pyridazinecarboxylic Acid |
CAS: |
1040246-87-4 |
Synonyms: |
4,6-dichloropyridazine-3-carboxylic acid; 4,6-dichloro-3-Pyridazinecarboxylic acid; 4,?6-?dichloro-?3-?Pyridazinecarboxylic acid; 4,6-dichloropyridazine-3-carboxylicacid |
IUPAC Name: | 4,6-dichloropyridazine-3-carboxylic acid |
Molecular Weight: | 192.99 |
Molecular Formula: | C5H2Cl2N2O2 |
Canonical SMILES: | C1=C(C(=NN=C1Cl)C(=O)O)Cl |
InChI: | InChI=1S/C5H2Cl2N2O2/c6-2-1-3(7)8-9-4(2)5(10)11/h1H,(H,10,11) |
InChI Key: | CYHNQEXUXBNNEI-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.9493327 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.9493327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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