Cas no 400837-76-5 ( )
structure
Product Name:
CAS No:400837-76-5
MF:C7H8FNO2
MW:157.142325401306
CID:925268
PubChem ID:9942203
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2-carboxylicacid,3-fluoro-4-methyl-,methylester(9CI)
- methyl 3-fluoro-4-methyl-1H-pyrrole-2-carboxylate
- Methyl3-fluoro-4-methyl-1H-pyrrole-2-carboxylate
- 1H-Pyrrole-2-carboxylic acid, 3-fluoro-4-methyl-, methyl ester
- AKOS006309435
- SB63590
- DTXSID30433089
- 400837-76-5
-
-
- Inchi： 1S/C7H8FNO2/c1-4-3-9-6(5(4)8)7(10)11-2/h3,9H,1-2H3
- InChI Key： JAFNGNSAVLEWNW-UHFFFAOYSA-N
- SMILES： FC1=C(C(=O)OC)NC=C1C
Computed Properties
- Exact Mass: 157.05390666g/mol
- Monoisotopic Mass: 157.05390666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 163
- 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: 1.4
- Topological Polar Surface Area: 42.1?2
Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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