Cas no 647858-59-1 (Benzaldehyde, 3-bromo-5-hydroxy-2-(phenylmethoxy)-)
647858-59-1 structure
Product Name:Benzaldehyde, 3-bromo-5-hydroxy-2-(phenylmethoxy)-
CAS No:647858-59-1
MF:C14H11BrO3
MW:307.139343500137
CID:415824
PubChem ID:71378624
Update Time:2025-04-19
Benzaldehyde, 3-bromo-5-hydroxy-2-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 3-bromo-5-hydroxy-2-(phenylmethoxy)-
- 3-bromo-5-hydroxy-2-phenylmethoxybenzaldehyde
- 647858-59-1
- 2-(Benzyloxy)-3-bromo-5-hydroxybenzaldehyde
- DTXSID80801234
-
- Inchi： 1S/C14H11BrO3/c15-13-7-12(17)6-11(8-16)14(13)18-9-10-4-2-1-3-5-10/h1-8,17H,9H2
- InChI Key： IYDYVOFTCMZEIW-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC(C=O)=C1OCC1C=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: 3.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzaldehyde, 3-bromo-5-hydroxy-2-(phenylmethoxy)- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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