Cas no 61535-23-7 (1,3-Benzodioxole-5-carboxaldehyde, 7-bromo-4-methoxy-)
61535-23-7 structure
Product Name:1,3-Benzodioxole-5-carboxaldehyde, 7-bromo-4-methoxy-
CAS No:61535-23-7
MF:C9H7BrO4
MW:259.053482294083
CID:475888
PubChem ID:71394872
Update Time:2025-04-19
1,3-Benzodioxole-5-carboxaldehyde, 7-bromo-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-carboxaldehyde, 7-bromo-4-methoxy-
- 7-bromo-4-methoxy-1,3-benzodioxole-5-carbaldehyde
- DTXSID10816538
- 7-Bromo-4-methoxy-2H-1,3-benzodioxole-5-carbaldehyde
- 61535-23-7
-
- Inchi： 1S/C9H7BrO4/c1-12-7-5(3-11)2-6(10)8-9(7)14-4-13-8/h2-3H,4H2,1H3
- InChI Key： LOJBHGUTLATPNW-UHFFFAOYSA-N
- SMILES： BrC1=CC(C=O)=C(C2=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, 7-bromo-4-methoxy- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
61535-23-7 (1,3-Benzodioxole-5-carboxaldehyde, 7-bromo-4-methoxy-) Related Products
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