Cas no 1354035-57-6 (Methyl 1-bromo-4-methylisoquinoline-3-carboxylate)
1354035-57-6 structure
Product Name:Methyl 1-bromo-4-methylisoquinoline-3-carboxylate
CAS No:1354035-57-6
MF:C12H10BrNO2
MW:280.117302417755
CID:2126398
Update Time:2023-08-04
Methyl 1-bromo-4-methylisoquinoline-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 1-bromo-4-methylisoquinoline-3-carboxylate
- Methyl 1-bromo-4-methylisoquinoline-3-carboxylate
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- Inchi： 1S/C12H10BrNO2/c1-7-8-5-3-4-6-9(8)11(13)14-10(7)12(15)16-2/h3-6H,1-2H3
- InChI Key： IIJVEHOGJUYZAL-UHFFFAOYSA-N
- SMILES： BrC1=C2C=CC=CC2=C(C)C(C(=O)OC)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 272
- Topological Polar Surface Area: 39.2
Methyl 1-bromo-4-methylisoquinoline-3-carboxylate Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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