Cas no 35453-44-2 (Benzoic acid, 2-(2,2,2-trifluoroethoxy)-, methyl ester)
35453-44-2 structure
Product Name:Benzoic acid, 2-(2,2,2-trifluoroethoxy)-, methyl ester
CAS No:35453-44-2
MF:C10H9F3O3
MW:234.171873807907
CID:1470422
PubChem ID:19622905
Update Time:2025-04-20
Benzoic acid, 2-(2,2,2-trifluoroethoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(2,2,2-trifluoroethoxy)-, methyl ester
- methyl 2-(2,2,2-trifluoroethoxy)benzoate
- SCHEMBL10499645
- 35453-44-2
-
- Inchi： 1S/C10H9F3O3/c1-15-9(14)7-4-2-3-5-8(7)16-6-10(11,12)13/h2-5H,6H2,1H3
- InChI Key： GRNHMSANGQEPRV-UHFFFAOYSA-N
- SMILES： FC(COC1C=CC=CC=1C(=O)OC)(F)F
Computed Properties
- Exact Mass: 234.05037
- Monoisotopic Mass: 234.05037863g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 240
- 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: 3.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzoic acid, 2-(2,2,2-trifluoroethoxy)-, methyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
35453-44-2 (Benzoic acid, 2-(2,2,2-trifluoroethoxy)-, methyl ester) Related Products
- 175205-34-2(5-Methoxy-2-(2,2,2-trifluoroethoxy)benzoic acid)
- 35480-31-0(Methyl 2,5-Bis(trifluoroethoxy)benzoate)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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