Cas no 408538-42-1 (3-Pyridinecarbonylchloride, 2-chloro-, 1-oxide)
408538-42-1 structure
Product Name:3-Pyridinecarbonylchloride, 2-chloro-, 1-oxide
CAS No:408538-42-1
MF:C6H3Cl2NO2
MW:191.999519586563
CID:326253
PubChem ID:45081688
Update Time:2025-04-19
3-Pyridinecarbonylchloride, 2-chloro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonylchloride, 2-chloro-, 1-oxide
- 2-chloro-1-oxidopyridin-1-ium-3-carbonyl chloride
- 3-Pyridinecarbonylchloride,2-chloro-,1-oxide(9CI)
- 2-Chloro-1-oxo-1lambda~5~-pyridine-3-carbonyl chloride
- DTXSID80664780
- 408538-42-1
-
- Inchi： 1S/C6H3Cl2NO2/c7-5-4(6(8)10)2-1-3-9(5)11/h1-3H
- InChI Key： LVWAXIVHOHHXQF-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)Cl)=CC=C[N+]=1[O-]
Computed Properties
- Exact Mass: 190.954
- Monoisotopic Mass: 190.954
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.5A^2
- XLogP3: 1.3
3-Pyridinecarbonylchloride, 2-chloro-, 1-oxide Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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