Cas no 646515-46-0 (1H-Indole-1-acetic acid, 5-fluoro-2-methyl-)
646515-46-0 structure
Product Name:1H-Indole-1-acetic acid, 5-fluoro-2-methyl-
CAS No:646515-46-0
MF:C11H10FNO2
MW:207.201006412506
CID:420045
PubChem ID:67466619
Update Time:2025-04-19
1H-Indole-1-acetic acid, 5-fluoro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-1-acetic acid, 5-fluoro-2-methyl-
- 2(5-fluoro-2-methyl-1H-indol-1-yl)acetic acid
- 2-(5-fluoro-2-methylindol-1-yl)acetic acid
- SCHEMBL2591249
- 5-fluoro-2-methyl-1h-indole-1-acetic acid
- (5-Fluoro-2-methyl-1H-indol-1-yl)acetic acid
- (5-fluoro-2-methyl-indol-1-yl)-acetic acid
- 2-(5-fluoro-2-methyl-1H-indol-1-yl)acetic acid
- XETODQFANWOPEC-UHFFFAOYSA-N
- 646515-46-0
- DTXSID30737312
-
- Inchi： 1S/C11H10FNO2/c1-7-4-8-5-9(12)2-3-10(8)13(7)6-11(14)15/h2-5H,6H2,1H3,(H,14,15)
- InChI Key： XETODQFANWOPEC-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)C=C(C)N2CC(=O)O
Computed Properties
- Exact Mass: 207.0696
- Monoisotopic Mass: 207.06955672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 2.2
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.23
1H-Indole-1-acetic acid, 5-fluoro-2-methyl- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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