Cas no 196302-51-9 (Benzenemethanol, 3-bromo-2,5-dimethoxy-)
196302-51-9 structure
Product Name:Benzenemethanol, 3-bromo-2,5-dimethoxy-
CAS No:196302-51-9
MF:C9H11BrO3
MW:247.085842370987
CID:1388263
PubChem ID:10192777
Update Time:2025-04-20
Benzenemethanol, 3-bromo-2,5-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3-bromo-2,5-dimethoxy-
- (3-bromo-2,5-dimethoxyphenyl)methanol
- 3-bromo-2,5-dimethoxybenzyl alcohol
- JTYYNNSRXWOIEE-UHFFFAOYSA-N
- (3-Bromo-2,5-dimethyoxy-phenyl)-methanol
- DB-315160
- (3-Bromo-2,5-dimethoxy-phenyl)-methanol
- SCHEMBL3927720
- DTXSID20436549
- 196302-51-9
-
- Inchi： 1S/C9H11BrO3/c1-12-7-3-6(5-11)9(13-2)8(10)4-7/h3-4,11H,5H2,1-2H3
- InChI Key： JTYYNNSRXWOIEE-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC(CO)=C1OC)OC
Computed Properties
- Exact Mass: 245.98913
- Monoisotopic Mass: 245.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 154
- 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: 1.7
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
Benzenemethanol, 3-bromo-2,5-dimethoxy- Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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