Cas no 13365-08-7 (Benzene, 2,4-dibromo-1,5-dimethoxy-3-methyl-)
13365-08-7 structure
Product Name:Benzene, 2,4-dibromo-1,5-dimethoxy-3-methyl-
CAS No:13365-08-7
MF:C9H10Br2O2
MW:309.982501506805
CID:1233578
PubChem ID:12757818
Update Time:2025-04-20
Benzene, 2,4-dibromo-1,5-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2,4-dibromo-1,5-dimethoxy-3-methyl-
- 2,4-dibromo-1,5-dimethoxy-3-methylbenzene
- SCHEMBL18781448
- 13365-08-7
- DTXSID60509105
-
- Inchi： 1S/C9H10Br2O2/c1-5-8(10)6(12-2)4-7(13-3)9(5)11/h4H,1-3H3
- InChI Key： NIWKDLMXFZCPAW-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(=C(C=1C)Br)OC)OC
Computed Properties
- Exact Mass: 307.9047
- Monoisotopic Mass: 307.90475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 150
- 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: 3.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 2,4-dibromo-1,5-dimethoxy-3-methyl- Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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