Cas no 89928-78-9 (3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl-, methyl ester)
89928-78-9 structure
Product Name:3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl-, methyl ester
CAS No:89928-78-9
MF:C12H10ClNO2
MW:235.666302204132
CID:585161
PubChem ID:13230067
Update Time:2025-04-19
3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl-, methyl ester
- methyl 1-chloro-4-methylisoquinoline-3-carboxylate
- DTXSID60530353
- SCHEMBL13938231
- 89928-78-9
-
- Inchi： 1S/C12H10ClNO2/c1-7-8-5-3-4-6-9(8)11(13)14-10(7)12(15)16-2/h3-6H,1-2H3
- InChI Key： SYPUFZCRBHAOQT-UHFFFAOYSA-N
- SMILES： ClC1=C2C=CC=CC2=C(C)C(C(=O)OC)=N1
Computed Properties
- Exact Mass: 235.0400063g/mol
- Monoisotopic Mass: 235.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 272
- 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: 39.2?2
3-Isoquinolinecarboxylic acid, 1-chloro-4-methyl-, methyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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