Cas no 204452-94-8 (2-(3-bromophenoxy)acetaldehyde diethyl acetal)
204452-94-8 structure
Product Name:2-(3-bromophenoxy)acetaldehyde diethyl acetal
CAS No:204452-94-8
MF:C12H17BrO3
MW:289.165583372116
CID:2919824
PubChem ID:15453765
Update Time:2025-04-21
2-(3-bromophenoxy)acetaldehyde diethyl acetal Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-bromophenoxy)acetaldehyde diethyl acetal
- 1-Bromo-3-(2,2-diethoxy-ethoxy)-benzene;1-bromo-3-(2,2-diethoxyethoxy)benzene;1-Bromo-3-(2,2-diethoxyethoxy)benzene;
- 204452-94-8
- F70276
- AKOS012939953
- DA-08425
- 1-bromo-3-(2,2-diethoxyethoxy)benzene
- 1-Bromo-3-(2 2-diethoxy-ethoxy)-benzene
- A1-02692
- SCHEMBL102555
- BXNLYIJBCFCSBQ-UHFFFAOYSA-N
- 1-Bromo-3-(2,2-diethoxy-ethoxy)-benzene
-
- Inchi: 1S/C12H17BrO3/c1-3-14-12(15-4-2)9-16-11-7-5-6-10(13)8-11/h5-8,12H,3-4,9H2,1-2H3
- InChI Key: BXNLYIJBCFCSBQ-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(=C1)OCC(OCC)OCC
Computed Properties
- Exact Mass: 288.03600
- Monoisotopic Mass: 288.03611Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 172
- 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: 27.7?2
Experimental Properties
- PSA: 27.69000
- LogP: 3.22700
2-(3-bromophenoxy)acetaldehyde diethyl acetal Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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