Cas no 387398-42-7 (Benzoic acid, 4-[[4-(trifluoromethyl)phenyl]ethynyl]-)
![Benzoic acid, 4-[[4-(trifluoromethyl)phenyl]ethynyl]- structure](https://ossimg.kuujia.com/scimg/387500/387398-42-7x500.png)
387398-42-7 structure
Product Name:Benzoic acid, 4-[[4-(trifluoromethyl)phenyl]ethynyl]-
CAS No:387398-42-7
MF:C16H9F3O2
MW:290.236675024033
CID:1490911
PubChem ID:23533990
Update Time:2025-04-21
Benzoic acid, 4-[[4-(trifluoromethyl)phenyl]ethynyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[[4-(trifluoromethyl)phenyl]ethynyl]-
- EN300-23837695
- 4-[2-[4-(Trifluoromethyl)phenyl]ethynyl]benzoic acid
- 387398-42-7
- 4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid
- UWSWWCVMKNVUSF-UHFFFAOYSA-N
- SCHEMBL22721378
-
- Inchi： 1S/C16H9F3O2/c17-16(18,19)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(20)21/h3-10H,(H,20,21)
- InChI Key： UWSWWCVMKNVUSF-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C#CC2C=CC(C(=O)O)=CC=2)=CC=1)(F)F
Computed Properties
- Exact Mass: 290.05547
- Monoisotopic Mass: 290.05546401g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 427
- 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: 5.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzoic acid, 4-[[4-(trifluoromethyl)phenyl]ethynyl]- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-23837695-0.05g |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 0.05g |
$229.0 | 2024-06-19 | |
| Enamine | EN300-23837695-0.1g |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 0.1g |
$342.0 | 2024-06-19 | |
| Enamine | EN300-23837695-0.25g |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 0.25g |
$487.0 | 2024-06-19 | |
| Enamine | EN300-23837695-0.5g |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 0.5g |
$768.0 | 2024-06-19 | |
| Enamine | EN300-23837695-1.0g |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 1.0g |
$986.0 | 2024-06-19 | |
| Enamine | EN300-23837695-2.5g |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 2.5g |
$1931.0 | 2024-06-19 | |
| Enamine | EN300-23837695-5.0g |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 5.0g |
$2858.0 | 2024-06-19 | |
| Enamine | EN300-23837695-10.0g |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 10.0g |
$4236.0 | 2024-06-19 | |
| Aaron | AR027V31-50mg |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 50mg |
$340.00 | 2025-02-15 | |
| Aaron | AR027V31-100mg |
4-{2-[4-(trifluoromethyl)phenyl]ethynyl}benzoic acid |
387398-42-7 | 95% | 100mg |
$496.00 | 2025-02-15 |
Benzoic acid, 4-[[4-(trifluoromethyl)phenyl]ethynyl]- Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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