Cas no 380-71-2 (Propanedioic acid, (acetylamino)[(4-fluorophenyl)methyl]-, diethyl ester)
![Propanedioic acid, (acetylamino)[(4-fluorophenyl)methyl]-, diethyl ester structure](https://ossimg.kuujia.com/scimg/500/380-71-2x500.png)
380-71-2 structure
Product Name:Propanedioic acid, (acetylamino)[(4-fluorophenyl)methyl]-, diethyl ester
CAS No:380-71-2
MF:C16H20FNO5
MW:325.33210849762
CID:1488049
PubChem ID:2727877
Update Time:2025-04-21
Propanedioic acid, (acetylamino)[(4-fluorophenyl)methyl]-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (acetylamino)[(4-fluorophenyl)methyl]-, diethyl ester
- diethyl 2-acetamido-2-[(4-fluorophenyl)methyl]propanedioate
- HMS559D06
- diethyl (acetylamino)(4-fluorobenzyl)propanedioate
- 380-71-2
- Maybridge1_006232
- CCG-248549
- Diethyl 2-acetamido-2-(4-fluorobenzyl)malonate
- STK369241
- BRD-K33419625-001-01-1
- AKOS000716411
- DTXSID90369476
-
- Inchi： 1S/C16H20FNO5/c1-4-22-14(20)16(18-11(3)19,15(21)23-5-2)10-12-6-8-13(17)9-7-12/h6-9H,4-5,10H2,1-3H3,(H,18,19)
- InChI Key： UQUZGASRQMSXGN-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)CC(C(=O)OCC)(C(=O)OCC)NC(C)=O
Computed Properties
- Exact Mass: 325.13255090g/mol
- Monoisotopic Mass: 325.13255090g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 414
- 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: 81.7?2
Propanedioic acid, (acetylamino)[(4-fluorophenyl)methyl]-, diethyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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