Cas no 54629-11-7 (3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)-)
54629-11-7 structure
Product Name:3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)-
CAS No:54629-11-7
MF:C12H8ClNO3
MW:249.649822235107
CID:1590146
PubChem ID:12202641
Update Time:2025-04-21
3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)-
- 2-(3-chlorophenoxy)nicotinic acid
- 2-(3-chloro-phenoxy)-nicotinic acid
- AKOS000141192
- 2-(3-Chlorophenoxy)pyridine-3-carboxylic acid
- SCHEMBL2332693
- 54629-11-7
- 2-(3-chlorophenoxy) nicotinic acid
- 2(3-chlorophenoxy)nicotinic acid
- DB-121602
-
- Inchi: 1S/C12H8ClNO3/c13-8-3-1-4-9(7-8)17-11-10(12(15)16)5-2-6-14-11/h1-7H,(H,15,16)
- InChI Key: ZZJPVCGMAKVSHU-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC(=C1)OC1C(C(=O)O)=CC=CN=1
Computed Properties
- Exact Mass: 249.01934
- Monoisotopic Mass: 249.0192708g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 275
- 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
- XLogP3: 2.9
- Topological Polar Surface Area: 59.4?2
Experimental Properties
- PSA: 59.42
3-Pyridinecarboxylic acid, 2-(3-chlorophenoxy)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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