Cas no 873845-74-0 (Benzoic acid, 2-formyl-6-(trifluoromethyl)-, methyl ester)
873845-74-0 structure
Product Name:Benzoic acid, 2-formyl-6-(trifluoromethyl)-, methyl ester
CAS No:873845-74-0
MF:C10H7F3O3
MW:232.155993700027
CID:1886173
PubChem ID:86090086
Update Time:2025-04-21
Benzoic acid, 2-formyl-6-(trifluoromethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-formyl-6-(trifluoromethyl)-, methyl ester
- Methyl 2-formyl-6-(trifluoromethyl)benzoate
- 2-Formyl-6-trifluoromethyl-benzoic acid methyl ester
- 873845-74-0
- SCHEMBL4467342
-
- Inchi： 1S/C10H7F3O3/c1-16-9(15)8-6(5-14)3-2-4-7(8)10(11,12)13/h2-5H,1H3
- InChI Key： VBCARHYQKNRDMU-UHFFFAOYSA-N
- SMILES： FC(C1C=CC=C(C=O)C=1C(=O)OC)(F)F
Computed Properties
- Exact Mass: 232.035
- Monoisotopic Mass: 232.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 275
- 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
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 2.1
Benzoic acid, 2-formyl-6-(trifluoromethyl)-, methyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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