Cas no 55086-52-7 (Isoquinoline, 1-bromo-3-methoxy-)
55086-52-7 structure
Product Name:Isoquinoline, 1-bromo-3-methoxy-
CAS No:55086-52-7
MF:C10H8BrNO
MW:238.08062171936
CID:1591547
PubChem ID:13479773
Update Time:2025-04-21
Isoquinoline, 1-bromo-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 1-bromo-3-methoxy-
- 1-bromo-3-methoxyisoquinoline
- DTXSID00541827
- 55086-52-7
- AKOS030605539
- CS-0342955
-
- Inchi： 1S/C10H8BrNO/c1-13-9-6-7-4-2-3-5-8(7)10(11)12-9/h2-6H,1H3
- InChI Key： JAIAXAXMGFTMDT-UHFFFAOYSA-N
- SMILES： BrC1C2C=CC=CC=2C=C(N=1)OC
Computed Properties
- Exact Mass: 236.97894
- Monoisotopic Mass: 236.97893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 3.4
- Topological Polar Surface Area: 22.1?2
Experimental Properties
- PSA: 22.12
Isoquinoline, 1-bromo-3-methoxy- Related Literature
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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