Cas no 87812-49-5 (Isoquinoline, 3-bromo-1-methoxy-)
87812-49-5 structure
Product Name:Isoquinoline, 3-bromo-1-methoxy-
CAS No:87812-49-5
MF:C10H8BrNO
MW:238.08062171936
CID:1913627
PubChem ID:13191709
Update Time:2025-04-21
Isoquinoline, 3-bromo-1-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 3-bromo-1-methoxy-
- 3-bromo-1-methoxyisoquinoline
- DTXSID60526074
- 87812-49-5
- DTXCID70476879
- SCHEMBL26132370
- DB-410759
-
- Inchi： 1S/C10H8BrNO/c1-13-10-8-5-3-2-4-7(8)6-9(11)12-10/h2-6H,1H3
- InChI Key： UFGDPLBGWOSJJK-UHFFFAOYSA-N
- SMILES： BrC1=CC2C=CC=CC=2C(=N1)OC
Computed Properties
- Exact Mass: 236.97893Da
- Monoisotopic Mass: 236.97893Da
- 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
Isoquinoline, 3-bromo-1-methoxy- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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4. 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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