Cas no 198696-84-3 (methyl 4,6,7-trichloro-quinoline-2-carboxylate)
198696-84-3 structure
Product Name:methyl 4,6,7-trichloro-quinoline-2-carboxylate
CAS No:198696-84-3
MF:C11H6Cl3NO2
MW:290.529839992523
CID:908563
PubChem ID:34173870
Update Time:2025-04-19
methyl 4,6,7-trichloro-quinoline-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4,6,7-trichloro-quinoline-2-carboxylate
- 2-Quinolinecarboxylic acid, 4,5,7-trichloro-, methyl ester
- methyl 4,6,7-trichloroquinoline-2-carboxylate
- 2-Quinolinecarboxylic acid, 4,5,7-trichloro-, methyl ester
- DTXSID60652908
- METHYL4,6,7-TRICHLORO-QUINOLINE-2-CARBOXYLATE
- 198696-84-3
- 4,5,7-Trichloro-2-quinolinecarboxylic acid methyl ester
-
- Inchi： 1S/C11H6Cl3NO2/c1-17-11(16)10-3-6(12)5-2-7(13)8(14)4-9(5)15-10/h2-4H,1H3
- InChI Key： IUORCKWAHAFGEX-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)OC)N=C2C=C(C(=CC2=1)Cl)Cl
Computed Properties
- Exact Mass: 288.94600
- Monoisotopic Mass: 288.946412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 302
- 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: 4.3
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19000
- LogP: 3.98160
methyl 4,6,7-trichloro-quinoline-2-carboxylate Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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