Cas no 2545-98-4 (Benzene,2,4-difluoro-1-(hexadecyloxy)-)
2545-98-4 structure
Product Name:Benzene,2,4-difluoro-1-(hexadecyloxy)-
CAS No:2545-98-4
MF:C22H36F2O
MW:354.517454147339
CID:287501
PubChem ID:303038
Update Time:2025-04-19
Benzene,2,4-difluoro-1-(hexadecyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2,4-difluoro-1-(hexadecyloxy)-
- 2,4-difluoro-1-hexadecoxybenzene
- (2,4-difluoro-phenyl)-hexadecyl ether
- (2,4-Difluor-phenyl)-hexadecyl-aether
- AC1L71V6
- NSC190814
- NSC-190814
- DTXSID80307362
- 2545-98-4
-
- Inchi： 1S/C22H36F2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-17-16-20(23)19-21(22)24/h16-17,19H,2-15,18H2,1H3
- InChI Key： STYDEMJMFNPMDR-UHFFFAOYSA-N
- SMILES： FC1C=C(C=CC=1OCCCCCCCCCCCCCCCC)F
Computed Properties
- Exact Mass: 354.27358
- Monoisotopic Mass: 354.27342209g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 16
- Complexity: 285
- 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: 9.8
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
- LogP: 7.82490
Benzene,2,4-difluoro-1-(hexadecyloxy)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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