Cas no 70026-90-3 (4-Pyridinecarboxylicacid, 2-chloro-6-methyl-3-nitro-, ethyl ester)
70026-90-3 structure
Product Name:4-Pyridinecarboxylicacid, 2-chloro-6-methyl-3-nitro-, ethyl ester
CAS No:70026-90-3
MF:C9H9ClN2O4
MW:244.631761312485
CID:581059
PubChem ID:279254
Update Time:2025-04-19
4-Pyridinecarboxylicacid, 2-chloro-6-methyl-3-nitro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylicacid, 2-chloro-6-methyl-3-nitro-, ethyl ester
- ethyl 2-chloro-6-methyl-3-nitropyridine-4-carboxylate
- 2-chloro-6-methyl-3-nitro-isonicotinic acid ethyl ester
- AC1L5PTJ
- AC1Q5ACC
- AG-K-98098
- AR-1I8354
- CTK5D1713
- Ethyl-2-chlor-6-methyl-3-nitropyridin-4-carbonsaeure
- NSC129597
- DTXSID20299358
- 70026-90-3
- NSC-129597
-
- Inchi： 1S/C9H9ClN2O4/c1-3-16-9(13)6-4-5(2)11-8(10)7(6)12(14)15/h4H,3H2,1-2H3
- InChI Key： CWQHCQZATRDKSO-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C(=O)OCC)=CC(C)=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 244.02517
- Monoisotopic Mass: 244.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 281
- 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: 2.3
- Topological Polar Surface Area: 85?2
Experimental Properties
- Density: 1.381
- Boiling Point: 359.9°Cat760mmHg
- Flash Point: 171.5°C
- Refractive Index: 1.556
- PSA: 82.33
4-Pyridinecarboxylicacid, 2-chloro-6-methyl-3-nitro-, ethyl ester Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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