Cas no 55950-27-1 (1,3-Benzodioxole-5-carboxaldehyde, 4-bromo-6-methoxy-)
55950-27-1 structure
Product Name:1,3-Benzodioxole-5-carboxaldehyde, 4-bromo-6-methoxy-
CAS No:55950-27-1
MF:C9H7BrO4
MW:259.053482294083
CID:350239
PubChem ID:71444924
Update Time:2025-04-19
1,3-Benzodioxole-5-carboxaldehyde, 4-bromo-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-carboxaldehyde, 4-bromo-6-methoxy-
- 4-bromo-6-methoxy-1,3-benzodioxole-5-carbaldehyde
- DTXSID80853672
- 4-Bromo-6-methoxy-2H-1,3-benzodioxole-5-carbaldehyde
- 55950-27-1
-
- Inchi： 1S/C9H7BrO4/c1-12-6-2-7-9(14-4-13-7)8(10)5(6)3-11/h2-3H,4H2,1H3
- InChI Key： ODXFQMQNEDZWIP-UHFFFAOYSA-N
- SMILES： BrC1=C(C=O)C(=CC2=C1OCO2)OC
Computed Properties
- Exact Mass: 257.95271
- Monoisotopic Mass: 257.95277g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 223
- 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: 1.9
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
1,3-Benzodioxole-5-carboxaldehyde, 4-bromo-6-methoxy- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
55950-27-1 (1,3-Benzodioxole-5-carboxaldehyde, 4-bromo-6-methoxy-) Related Products
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