Cas no 167640-98-4 (4-Pyridinecarboxylic acid, 2-chloro-, 1-methylethyl ester)
167640-98-4 structure
Product Name:4-Pyridinecarboxylic acid, 2-chloro-, 1-methylethyl ester
CAS No:167640-98-4
MF:C9H10ClNO2
MW:199.634201526642
CID:1348527
PubChem ID:60704498
Update Time:2025-04-20
4-Pyridinecarboxylic acid, 2-chloro-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylic acid, 2-chloro-, 1-methylethyl ester
- propan-2-yl 2-chloropyridine-4-carboxylate
- AKOS009099164
- 167640-98-4
- DTXSID00733967
-
- Inchi： 1S/C9H10ClNO2/c1-6(2)13-9(12)7-3-4-11-8(10)5-7/h3-6H,1-2H3
- InChI Key： CXOIBMMMMLKBKJ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CN=1)C(=O)OC(C)C
Computed Properties
- Exact Mass: 199.0401
- Monoisotopic Mass: 199.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 2.2
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
4-Pyridinecarboxylic acid, 2-chloro-, 1-methylethyl ester Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
167640-98-4 (4-Pyridinecarboxylic acid, 2-chloro-, 1-methylethyl ester) Related Products
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