Cas no 649762-22-1 (Benzaldehyde, 5-bromo-2-(dodecyloxy)-)
649762-22-1 structure
Product Name:Benzaldehyde, 5-bromo-2-(dodecyloxy)-
CAS No:649762-22-1
MF:C19H29BrO2
MW:369.336365461349
CID:409844
PubChem ID:71377584
Update Time:2025-04-19
Benzaldehyde, 5-bromo-2-(dodecyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 5-bromo-2-(dodecyloxy)-
- 5-bromo-2-dodecoxybenzaldehyde
- 649762-22-1
- 5-BROMO-2-(DODECYLOXY)BENZALDEHYDE
- DTXSID30800217
-
- Inchi： 1S/C19H29BrO2/c1-2-3-4-5-6-7-8-9-10-11-14-22-19-13-12-18(20)15-17(19)16-21/h12-13,15-16H,2-11,14H2,1H3
- InChI Key： ZFPGMMGQJUZPHA-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=O)C=1)OCCCCCCCCCCCC
Computed Properties
- Exact Mass: 368.13517
- Monoisotopic Mass: 368.13509g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 270
- 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: 7.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzaldehyde, 5-bromo-2-(dodecyloxy)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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