Cas no 174873-76-8 (1-Isoquinolinecarbonylchloride, 8-methyl-)
174873-76-8 structure
Product Name:1-Isoquinolinecarbonylchloride, 8-methyl-
CAS No:174873-76-8
MF:C11H8ClNO
MW:205.640321731567
CID:111787
PubChem ID:15264485
Update Time:2025-04-18
1-Isoquinolinecarbonylchloride, 8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Isoquinolinecarbonylchloride, 8-methyl-
- 8-methylisoquinoline-1-carbonyl chloride
- 1-Isoquinolinecarbonyl chloride, 8-methyl- (9CI)
- 174873-76-8
- DTXSID00570672
-
- Inchi： 1S/C11H8ClNO/c1-7-3-2-4-8-5-6-13-10(9(7)8)11(12)14/h2-6H,1H3
- InChI Key： GTICIHOCOPVYSG-UHFFFAOYSA-N
- SMILES： ClC(C1C2C(C)=CC=CC=2C=CN=1)=O
Computed Properties
- Exact Mass: 205.02954
- 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: 3.3
- Topological Polar Surface Area: 30?2
Experimental Properties
- PSA: 29.96
1-Isoquinolinecarbonylchloride, 8-methyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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