Cas no 1112849-66-7 (2-chloro-5-(3,5-dimethylphenyl)nicotinic acid)
1112849-66-7 structure
Product Name:2-chloro-5-(3,5-dimethylphenyl)nicotinic acid
CAS No:1112849-66-7
MF:C14H12ClNO2
MW:261.703582763672
CID:2105187
PubChem ID:53222719
Update Time:2025-04-21
2-chloro-5-(3,5-dimethylphenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-5-(3,5-dimethylphenyl)nicotinic acid
- 2-chloro-5-(3,5-dimethylphenyl)pyridine-3-carboxylic acid
- 2-Chloro-5-(3,5-dimethylphenyl)nicotinic acid, 95%
- LLEZJLRLFXXGSW-UHFFFAOYSA-N
- DB-330111
- MFCD18316905
- SCHEMBL2280055
- 1112849-66-7
- DTXSID50687087
-
- Inchi： 1S/C14H12ClNO2/c1-8-3-9(2)5-10(4-8)11-6-12(14(17)18)13(15)16-7-11/h3-7H,1-2H3,(H,17,18)
- InChI Key： LLEZJLRLFXXGSW-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)O)C=C(C=N1)C1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 261.0556563Da
- Monoisotopic Mass: 261.0556563Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 300
- 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: 3.7
- Topological Polar Surface Area: 50.2?2
2-chloro-5-(3,5-dimethylphenyl)nicotinic acid Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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