4-Amino-2-chloropyridin-1-ium-1-olate - CAS 802844-83-3
Catalog: |
BB075019 |
Product Name: |
4-Amino-2-chloropyridin-1-ium-1-olate |
CAS: |
802844-83-3 |
Synonyms: |
4-AMINO-2-CHLOROPYRIDIN-1-IUM-1-OLATE; 2-chloro-1-hydroxypyridin-4-imine |
IUPAC Name: | 2-chloro-1-hydroxypyridin-4-imine |
Description: | 4-Amino-2-chloropyridin-1-ium-1-olate |
Molecular Weight: | 144.56 |
Molecular Formula: | C5H5ClN2O |
Canonical SMILES: | C1=CN(C(=CC1=N)Cl)O |
InChI: | InChI=1S/C5H5ClN2O/c6-5-3-4(7)1-2-8(5)9/h1-3,7,9H |
InChI Key: | KBPPXLXHVYPRHM-UHFFFAOYSA-N |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.0090405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 47.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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