Cas no 123020-21-3 (7-Iodo-1H-indole-3-carboxylic acid methyl ester)
123020-21-3 structure
Product Name:7-Iodo-1H-indole-3-carboxylic acid methyl ester
CAS No:123020-21-3
MF:C10H8INO2
MW:301.080494880676
CID:2131006
PubChem ID:14391465
Update Time:2025-04-21
7-Iodo-1H-indole-3-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 7-Iodo-1H-indole-3-carboxylic acid methyl ester
- 1H-Indole-3-carboxylic acid, 7-iodo-, Methyl ester
- methyl 7-iodo-1H-indole-3-carboxylate
- 7-Iodo-1H-indole-3-Carbocylic acid methyl ester
- DB-062129
- DTXSID701286145
- 123020-21-3
-
- Inchi： 1S/C10H8INO2/c1-14-10(13)7-5-12-9-6(7)3-2-4-8(9)11/h2-5,12H,1H3
- InChI Key： PFDZYKQIHMNZRG-UHFFFAOYSA-N
- SMILES： IC1=CC=CC2C(C(=O)OC)=CNC=21
Computed Properties
- Exact Mass: 300.95998Da
- Monoisotopic Mass: 300.95998Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 234
- 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: 3.2
- Topological Polar Surface Area: 42.1?2
7-Iodo-1H-indole-3-carboxylic acid methyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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