3-Chloropyridine N-Oxide - CAS 1851-22-5
Catalog: |
BB014194 |
Product Name: |
3-Chloropyridine N-Oxide |
CAS: |
1851-22-5 |
Synonyms: |
3-chloro-1-oxidopyridin-1-ium; 3-chloro-1-oxidopyridin-1-ium |
IUPAC Name: | 3-chloro-1-oxidopyridin-1-ium |
Description: | 3-Chloropyridine N-Oxide (CAS# 1851-22-5) is a compound useful in organic synthesis. |
Molecular Weight: | 129.54 |
Molecular Formula: | C5H4ClNO |
Canonical SMILES: | C1=CC(=C[N+](=C1)[O-])Cl |
InChI: | InChI=1S/C5H4ClNO/c6-5-2-1-3-7(8)4-5/h1-4H |
InChI Key: | NEXUNCTUUDERGR-UHFFFAOYSA-N |
Boiling Point: | 310 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
LogP: | 1.76850 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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Complexity: | 78.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.9981414 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.9981414 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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