Cas no 128895-76-1 (Benzoicacid, 2-fluoro-4-(octyloxy)-)
128895-76-1 structure
Product Name:Benzoicacid, 2-fluoro-4-(octyloxy)-
CAS No:128895-76-1
MF:C15H21FO3
MW:268.323848485947
CID:137453
PubChem ID:2774674
Update Time:2025-04-19
Benzoicacid, 2-fluoro-4-(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 2-fluoro-4-(octyloxy)-
- 2-FLUORO-4-N-OCTYLOXYBENZOIC ACID
- 2-fluoro-4-octoxybenzoic acid
- 2-FLUORO-4-(N-OCTYLOXY)BENZOIC ACID
- 2-fluoro-4-(octyloxy)benzoic acid
- 4-octyloxy-2-fluorobenzoic acid
- Benzoicacid,2-fluoro-4-(octyloxy)
- 2-FLUORO-4-OCTYLOXYBENZOIC ACID
- Benzoicacid,2-fluoro-4-(octyloxy)-
- Benzoic acid, 2-fluoro-4-(octyloxy)-
- 128895-76-1
- SCHEMBL1583118
- DTXSID60379168
- AKOS015910961
- 2-Fluoro-4-octyloxybenzoic acid 97%
-
- Inchi： 1S/C15H21FO3/c1-2-3-4-5-6-7-10-19-12-8-9-13(15(17)18)14(16)11-12/h8-9,11H,2-7,10H2,1H3,(H,17,18)
- InChI Key： AWPDESKDPDUKRX-UHFFFAOYSA-N
- SMILES： FC1=C(C(=O)O)C=CC(=C1)OCCCCCCCC
Computed Properties
- Exact Mass: 268.14700
- Monoisotopic Mass: 268.14747269g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 258
- 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: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: 4.26320
Benzoicacid, 2-fluoro-4-(octyloxy)- Security Information
- Hazard Statement： Irritant
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36/37/39
-
Hazardous Material Identification：
- Safety Term：S26-36/37/39
- Risk Phrases：R36/37/38
Benzoicacid, 2-fluoro-4-(octyloxy)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
128895-76-1 (Benzoicacid, 2-fluoro-4-(octyloxy)-) Related Products
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