Cas no 73480-87-2 (Isoquinoline, 6-chloro-1,3-dimethyl-)
73480-87-2 structure
Product Name:Isoquinoline, 6-chloro-1,3-dimethyl-
CAS No:73480-87-2
MF:C11H10ClN
MW:191.656801700592
CID:542397
PubChem ID:12542964
Update Time:2025-04-19
Isoquinoline, 6-chloro-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 6-chloro-1,3-dimethyl-
- 6-chloro-1,3-dimethylisoquinoline
- DTXSID40501925
- SCHEMBL15933155
- 73480-87-2
-
- Inchi： 1S/C11H10ClN/c1-7-5-9-6-10(12)3-4-11(9)8(2)13-7/h3-6H,1-2H3
- InChI Key： UXIDNCBGQVOCNH-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C(C)=NC(C)=CC=2C=1
Computed Properties
- Exact Mass: 191.0501770g/mol
- Monoisotopic Mass: 191.0501770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 183
- 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: 3.5
- Topological Polar Surface Area: 12.9?2
Isoquinoline, 6-chloro-1,3-dimethyl- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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