Cas no 647858-58-0 (Benzaldehyde, 3-bromo-2-hydroxy-5-(phenylmethoxy)-)
647858-58-0 structure
Product Name:Benzaldehyde, 3-bromo-2-hydroxy-5-(phenylmethoxy)-
CAS No:647858-58-0
MF:C14H11BrO3
MW:307.139343500137
CID:415825
PubChem ID:71378625
Update Time:2025-04-19
Benzaldehyde, 3-bromo-2-hydroxy-5-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 3-bromo-2-hydroxy-5-(phenylmethoxy)-
- 3-bromo-2-hydroxy-5-phenylmethoxybenzaldehyde
- 5-(Benzyloxy)-3-bromo-2-hydroxybenzaldehyde
- 647858-58-0
- DTXSID40801235
-
- Inchi: 1S/C14H11BrO3/c15-13-7-12(6-11(8-16)14(13)17)18-9-10-4-2-1-3-5-10/h1-8,17H,9H2
- InChI Key: DWGNRKCCNKLCHW-UHFFFAOYSA-N
- SMILES: BrC1C(=C(C=O)C=C(C=1)OCC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 305.98913
- Monoisotopic Mass: 305.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 266
- 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: 3.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzaldehyde, 3-bromo-2-hydroxy-5-(phenylmethoxy)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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