Cas no 651056-45-0 (1H-Indole-1-acetic acid, 6-bromo-, methyl ester)
651056-45-0 structure
Product Name:1H-Indole-1-acetic acid, 6-bromo-, methyl ester
CAS No:651056-45-0
MF:C11H10BrNO2
MW:268.106602191925
CID:406989
PubChem ID:62046181
Update Time:2025-04-19
1H-Indole-1-acetic acid, 6-bromo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-1-acetic acid, 6-bromo-, methyl ester
- methyl 2-(6-bromoindol-1-yl)acetate
- DTXSID80734316
- Methyl (6-bromo-1H-indol-1-yl)acetate
- SCHEMBL21810438
- 651056-45-0
- AKOS011322974
-
- Inchi： 1S/C11H10BrNO2/c1-15-11(14)7-13-5-4-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3
- InChI Key： NDESFFAZEFZJOA-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C=CN(CC(=O)OC)C=2C=1
Computed Properties
- Exact Mass: 266.9895
- Monoisotopic Mass: 266.98949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 247
- 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: 2.7
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- PSA: 31.23
1H-Indole-1-acetic acid, 6-bromo-, methyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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