Cas no 62774-92-9 (3-Pyridinecarboxylic acid, 2,6-dichloro-4-propyl-)
62774-92-9 structure
Product Name:3-Pyridinecarboxylic acid, 2,6-dichloro-4-propyl-
CAS No:62774-92-9
MF:C9H9Cl2NO2
MW:234.079260587692
CID:431666
PubChem ID:71382905
Update Time:2025-04-19
3-Pyridinecarboxylic acid, 2,6-dichloro-4-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 2,6-dichloro-4-propyl-
- 2,6-dichloro-4-propylpyridine-3-carboxylic acid
- DTXSID10805260
- 62774-92-9
-
- Inchi： 1S/C9H9Cl2NO2/c1-2-3-5-4-6(10)12-8(11)7(5)9(13)14/h4H,2-3H2,1H3,(H,13,14)
- InChI Key： LXFSEVMNOMFKPO-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)O)=C(C=C(N=1)Cl)CCC
Computed Properties
- Exact Mass: 233.00117
- Monoisotopic Mass: 233.0010339g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 213
- 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: 3.6
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- PSA: 50.19
3-Pyridinecarboxylic acid, 2,6-dichloro-4-propyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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