Cas no 115666-23-4 (1H-Indole-3-carboxaldehyde, 6-bromo-7-iodo-)
115666-23-4 structure
Product Name:1H-Indole-3-carboxaldehyde, 6-bromo-7-iodo-
CAS No:115666-23-4
MF:C9H5BrINO
MW:349.950573682785
CID:3642977
PubChem ID:14059147
Update Time:2025-04-22
1H-Indole-3-carboxaldehyde, 6-bromo-7-iodo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxaldehyde, 6-bromo-7-iodo-
- 6-Bromo-7-iodo-1H-indole-3-carboxaldehyde
- 115666-23-4
- DB-383437
-
- Inchi： 1S/C9H5BrINO/c10-7-2-1-6-5(4-13)3-12-9(6)8(7)11/h1-4,12H
- InChI Key： MQIOAPSJWOSSRW-UHFFFAOYSA-N
- SMILES： IC1=C(C=CC2C(C=O)=CNC=21)Br
Computed Properties
- Exact Mass: 348.85992Da
- Monoisotopic Mass: 348.85992Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 214
- 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: 2.9
- Topological Polar Surface Area: 32.9?2
1H-Indole-3-carboxaldehyde, 6-bromo-7-iodo- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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