Cas no 89928-55-2 (3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl-)
89928-55-2 structure
Product Name:3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl-
CAS No:89928-55-2
MF:C11H8ClNO2
MW:221.639721870422
CID:585178
PubChem ID:13230068
Update Time:2025-04-19
3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl-
- 1-chloro-4-methylisoquinoline-3-carboxylic acid
- 89928-55-2
- DTXSID20530354
-
- Inchi： 1S/C11H8ClNO2/c1-6-7-4-2-3-5-8(7)10(12)13-9(6)11(14)15/h2-5H,1H3,(H,14,15)
- InChI Key： PIROAHWCKIKPJS-UHFFFAOYSA-N
- SMILES： ClC1=C2C=CC=CC2=C(C)C(C(=O)O)=N1
Computed Properties
- Exact Mass: 221.0243562g/mol
- Monoisotopic Mass: 221.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 259
- 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: 3.3
- Topological Polar Surface Area: 50.2?2
3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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