Cas no 584-71-4 (Butyl 4-fluoro-3-nitrobenzoate)
584-71-4 structure
Product Name:Butyl 4-fluoro-3-nitrobenzoate
CAS No:584-71-4
MF:C11H12FNO4
MW:241.215686798096
CID:2833550
PubChem ID:60730720
Update Time:2025-04-21
Butyl 4-fluoro-3-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
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- 584-71-4
- DTXCID10684734
- SCHEMBL17542258
- Benzoic acid, 4-fluoro-3-nitro-, butyl ester
- AKOS009165890
- DTXSID30733990
- Butyl 4-fluoro-3-nitrobenzoate
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- Inchi： 1S/C11H12FNO4/c1-2-3-6-17-11(14)8-4-5-9(12)10(7-8)13(15)16/h4-5,7H,2-3,6H2,1H3
- InChI Key： NATYIOUMYONBNM-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1[N+](=O)[O-])C(=O)OCCCC
Computed Properties
- Exact Mass: 241.07503603Da
- Monoisotopic Mass: 241.07503603Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 279
- 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: 3
- Topological Polar Surface Area: 72.1?2
Butyl 4-fluoro-3-nitrobenzoate 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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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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