Cas no 62153-85-9 (Methanol, fluoro-, 4-nitrobenzoate)
62153-85-9 structure
Product Name:Methanol, fluoro-, 4-nitrobenzoate
CAS No:62153-85-9
MF:C8H8FNO5
MW:217.151226043701
CID:456135
PubChem ID:71389321
Update Time:2025-04-19
Methanol, fluoro-, 4-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
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- Methanol, fluoro-, 4-nitrobenzoate
- fluoromethanol,4-nitrobenzoic acid
- DTXSID10811341
- 4-Nitrobenzoic acid--fluoromethanol (1/1)
- 62153-85-9
-
- Inchi: 1S/C7H5NO4.CH3FO/c9-7(10)5-1-3-6(4-2-5)8(11)12;2-1-3/h1-4H,(H,9,10);3H,1H2
- InChI Key: OTOFSURHPIGTJF-UHFFFAOYSA-N
- SMILES: FCO.OC(C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 217.03864
- Monoisotopic Mass: 217.03865052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 195
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 103?2
Experimental Properties
- PSA: 100.67
Methanol, fluoro-, 4-nitrobenzoate Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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