Cas no 34417-79-3 (1,4-Benzenediol, 2-bromo-5,6-dimethoxy-3-methyl-)
34417-79-3 structure
Product Name:1,4-Benzenediol, 2-bromo-5,6-dimethoxy-3-methyl-
CAS No:34417-79-3
MF:C9H11BrO4
MW:263.085242509842
CID:1463422
PubChem ID:12721553
Update Time:2025-04-20
1,4-Benzenediol, 2-bromo-5,6-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol, 2-bromo-5,6-dimethoxy-3-methyl-
- 2-bromo-5,6-dimethoxy-3-methylbenzene-1,4-diol
- 34417-79-3
- 2,3-dimethoxy-5-methyl-6-bromohydroquinone
- DTXSID30508064
- SCHEMBL3910487
- XDEHJBMWKOQGKG-UHFFFAOYSA-N
-
- Inchi： 1S/C9H11BrO4/c1-4-5(10)7(12)9(14-3)8(13-2)6(4)11/h11-12H,1-3H3
- InChI Key： XDEHJBMWKOQGKG-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=C(C(=C1C)O)OC)OC)O
Computed Properties
- Exact Mass: 261.98403
- Monoisotopic Mass: 261.98407g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 190
- 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: 2.2
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- PSA: 58.92
1,4-Benzenediol, 2-bromo-5,6-dimethoxy-3-methyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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