Cas no 648418-49-9 (Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 2-fluoro-, ethyl ester)
![Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 2-fluoro-, ethyl ester structure](https://ossimg.kuujia.com/scimg/648500/648418-49-9x500.png)
648418-49-9 structure
Product Name:Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 2-fluoro-, ethyl ester
CAS No:648418-49-9
MF:C15H12FNO2
MW:257.259687423706
CID:415201
PubChem ID:71378496
Update Time:2025-04-19
Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 2-fluoro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 2-fluoro-, ethyl ester
- ethyl 2-fluoropyrrolo[2,1-a]isoquinoline-3-carboxylate
- DTXSID90801109
- 648418-49-9
-
- Inchi： 1S/C15H12FNO2/c1-2-19-15(18)14-12(16)9-13-11-6-4-3-5-10(11)7-8-17(13)14/h3-9H,2H2,1H3
- InChI Key： QIONTIXDQZOKMJ-UHFFFAOYSA-N
- SMILES： FC1C=C2C3C=CC=CC=3C=CN2C=1C(=O)OCC
Computed Properties
- Exact Mass: 257.08526
- Monoisotopic Mass: 257.08520679g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 349
- 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: 4.4
- Topological Polar Surface Area: 30.7?2
Experimental Properties
- PSA: 30.71
Pyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 2-fluoro-, ethyl ester Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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