Cas no 204783-04-0 ( )
structure
Product Name:
CAS No:204783-04-0
MF:C11H8ClNO
MW:205.640321731567
CID:872638
PubChem ID:21184122
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 8-methylquinoline-5-carbonyl chloride
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- Inchi： 1S/C11H8ClNO/c1-7-4-5-9(11(12)14)8-3-2-6-13-10(7)8/h2-6H,1H3
- InChI Key： VMCWEVYZYNAXOK-UHFFFAOYSA-N
- SMILES： ClC(C1=CC=C(C)C2C1=CC=CN=2)=O
Computed Properties
- Exact Mass: 205.0294416g/mol
- Monoisotopic Mass: 205.0294416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 231
- 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: 3.1
- Topological Polar Surface Area: 30?2
Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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