Cas no 1246441-85-9 (Methyl 8-chloroisoquinoline-5-carboxylate)
1246441-85-9 structure
Product Name:Methyl 8-chloroisoquinoline-5-carboxylate
CAS No:1246441-85-9
MF:C11H8ClNO2
MW:221.639721870422
CID:1083806
PubChem ID:72699133
Update Time:2025-04-20
Methyl 8-chloroisoquinoline-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Methyl 8-chloroisoquinoline-5-carboxylate
- DB-360861
- 1246441-85-9
-
- MDL: MFCD17214300
- Inchi: 1S/C11H8ClNO2/c1-15-11(14)8-2-3-10(12)9-6-13-5-4-7(8)9/h2-6H,1H3
- InChI Key: XCDUZSPXTWCMCH-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C(=O)OC)C2C=CN=CC=21
Computed Properties
- Exact Mass: 221.0243562g/mol
- Monoisotopic Mass: 221.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 2.6
- Topological Polar Surface Area: 39.2?2
Methyl 8-chloroisoquinoline-5-carboxylate Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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