Cas no 820238-29-7 (Isoquinoline, 5-bromo-8-propoxy-)
820238-29-7 structure
Product Name:Isoquinoline, 5-bromo-8-propoxy-
CAS No:820238-29-7
MF:C12H12BrNO
MW:266.13378238678
CID:700566
PubChem ID:69447064
Update Time:2025-04-19
Isoquinoline, 5-bromo-8-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 5-bromo-8-propoxy-
- 5-bromo-8-propoxyisoquinoline
- SCHEMBL5451715
- 820238-29-7
- DTXSID10740546
-
- Inchi： 1S/C12H12BrNO/c1-2-7-15-12-4-3-11(13)9-5-6-14-8-10(9)12/h3-6,8H,2,7H2,1H3
- InChI Key： NYWLDJUGFSYQQP-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C2C=NC=CC2=1)OCCC
Computed Properties
- Exact Mass: 265.01023g/mol
- Monoisotopic Mass: 265.01023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 200
- 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: 3.7
- Topological Polar Surface Area: 22.1?2
Isoquinoline, 5-bromo-8-propoxy- Related Literature
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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
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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