Cas no 55950-26-0 (1,3-Benzodioxole, 4-bromo-6-methoxy-)
55950-26-0 structure
Product Name:1,3-Benzodioxole, 4-bromo-6-methoxy-
CAS No:55950-26-0
MF:C8H7BrO3
MW:231.043381929398
CID:350240
PubChem ID:5324623
Update Time:2025-04-19
1,3-Benzodioxole, 4-bromo-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 4-bromo-6-methoxy-
- DTXSID50415928
- SY309814
- 4-bromo-6-methoxy-1,3-benzodioxole
- SCHEMBL5218336
- 55950-26-0
- 4-Chloro-5-methoxybenzo[d][1,3]dioxole
- InChI=1/C8H7BrO3/c1-10-5-2-6(9)8-7(3-5)11-4-12-8/h2-3H,4H2,1H
-
- Inchi: 1S/C8H7BrO3/c1-10-5-2-6(9)8-7(3-5)11-4-12-8/h2-3H,4H2,1H3
- InChI Key: UOZOWUOPLNAWRU-UHFFFAOYSA-N
- SMILES: BrC1=CC(=CC2=C1OCO2)OC
Computed Properties
- Exact Mass: 229.95781
- Monoisotopic Mass: 229.95786g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 164
- 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: 2.4
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
1,3-Benzodioxole, 4-bromo-6-methoxy- Related Literature
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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