Cas no 61563-44-8 (Isoquinoline, 8-(trifluoromethyl)-, hydrochloride)
61563-44-8 structure
Product Name:Isoquinoline, 8-(trifluoromethyl)-, hydrochloride
CAS No:61563-44-8
MF:C10H7ClF3N
MW:233.617491960526
CID:474729
PubChem ID:71394583
Update Time:2025-04-19
Isoquinoline, 8-(trifluoromethyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 8-(trifluoromethyl)-, hydrochloride
- 8-(trifluoromethyl)isoquinoline,hydrochloride
- DTXSID60816265
- 61563-44-8
- 8-(Trifluoromethyl)isoquinoline--hydrogen chloride (1/1)
-
- Inchi： 1S/C10H6F3N.ClH/c11-10(12,13)9-3-1-2-7-4-5-14-6-8(7)9;/h1-6H;1H
- InChI Key： YFMNHIBFZXHJIO-UHFFFAOYSA-N
- SMILES： Cl.FC(C1C=CC=C2C=CN=CC=12)(F)F
Computed Properties
- Exact Mass: 233.02201
- Monoisotopic Mass: 233.0219114g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 202
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
Isoquinoline, 8-(trifluoromethyl)-, hydrochloride Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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