Cas no 918873-52-6 (Benzoic acid, 3-fluoro-2-(trifluoromethyl)-, methyl ester)
918873-52-6 structure
Product Name:Benzoic acid, 3-fluoro-2-(trifluoromethyl)-, methyl ester
CAS No:918873-52-6
MF:C9H6F4O2
MW:222.136356830597
CID:769650
PubChem ID:46311151
Update Time:2025-04-19
Benzoic acid, 3-fluoro-2-(trifluoromethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-fluoro-2-(trifluoromethyl)-, methyl ester
- methyl 3-fluoro-2-(trifluoromethyl)benzoate
- DTXSID00673218
- KKMPPGZHERDFLH-UHFFFAOYSA-N
- FT-0725960
- SCHEMBL2324567
- 918873-52-6
-
- Inchi： 1S/C9H6F4O2/c1-15-8(14)5-3-2-4-6(10)7(5)9(11,12)13/h2-4H,1H3
- InChI Key： KKMPPGZHERDFLH-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(C(=O)OC)=C1C(F)(F)F
Computed Properties
- Exact Mass: 222.03
- Monoisotopic Mass: 222.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 26.3A^2
- XLogP3: 2.8
Benzoic acid, 3-fluoro-2-(trifluoromethyl)-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015008268-250mg |
Methyl 3-fluoro-2-(trifluoromethyl)benzoate |
918873-52-6 | 97% | 250mg |
$504.00 | 2023-08-31 | |
| Alichem | A015008268-500mg |
Methyl 3-fluoro-2-(trifluoromethyl)benzoate |
918873-52-6 | 97% | 500mg |
$798.70 | 2023-08-31 | |
| Alichem | A015008268-1g |
Methyl 3-fluoro-2-(trifluoromethyl)benzoate |
918873-52-6 | 97% | 1g |
$1579.40 | 2023-08-31 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1638458-250mg |
Methyl 3-fluoro-2-(trifluoromethyl)benzoate |
918873-52-6 | 98% | 250mg |
￥7455.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1638458-500mg |
Methyl 3-fluoro-2-(trifluoromethyl)benzoate |
918873-52-6 | 98% | 500mg |
￥10237.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1638458-1g |
Methyl 3-fluoro-2-(trifluoromethyl)benzoate |
918873-52-6 | 98% | 1g |
￥20247.00 | 2024-04-25 |
Benzoic acid, 3-fluoro-2-(trifluoromethyl)-, methyl ester Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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