Cas no 230312-97-7 (2-Pyridinecarbonylchloride, 4-nitro-)
230312-97-7 structure
Product Name:2-Pyridinecarbonylchloride, 4-nitro-
CAS No:230312-97-7
MF:C6H3ClN2O3
MW:186.552620172501
CID:245262
PubChem ID:45081597
Update Time:2025-04-19
2-Pyridinecarbonylchloride, 4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarbonylchloride, 4-nitro-
- 2-Pyridinecarbonyl chloride, 4-nitro- (9CI)
- 4-nitropyridine-2-carbonyl chloride
- 230312-97-7
- 2-Pyridinecarbonyl chloride,4-nitro-(9ci)
- DTXSID10664713
-
- Inchi： 1S/C6H3ClN2O3/c7-6(10)5-3-4(9(11)12)1-2-8-5/h1-3H
- InChI Key： KXVRYVUBBIMNHH-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C=CN=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 185.98329
- Monoisotopic Mass: 185.983
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 204
- 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: 75.8A^2
- XLogP3: 1.5
Experimental Properties
- PSA: 73.1
2-Pyridinecarbonylchloride, 4-nitro- Related Literature
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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