Cas no 89187-90-6 (Phenol, 2,4,5-tribromo-3-methyl-)
89187-90-6 structure
Product Name:Phenol, 2,4,5-tribromo-3-methyl-
CAS No:89187-90-6
MF:C7H5Br3O
MW:344.825999975204
CID:609442
PubChem ID:19893062
Update Time:2025-04-19
Phenol, 2,4,5-tribromo-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,4,5-tribromo-3-methyl-
- 2,4,5-tribromo-3-methylphenol
- SCHEMBL7754486
- Tribrom-m-Kresol
- 89187-90-6
- DTXSID30601064
-
- Inchi： 1S/C7H5Br3O/c1-3-6(9)4(8)2-5(11)7(3)10/h2,11H,1H3
- InChI Key： OHRBZDZGCWHOPT-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(=C(C=1C)Br)Br)O
Computed Properties
- Exact Mass: 343.78700g/mol
- Monoisotopic Mass: 341.78905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 142
- 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: 4
- Topological Polar Surface Area: 20.2?2
Phenol, 2,4,5-tribromo-3-methyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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