Cas no 54344-94-4 (Phenol, 3-bromo-2,4,5-trimethyl-)
54344-94-4 structure
Product Name:Phenol, 3-bromo-2,4,5-trimethyl-
CAS No:54344-94-4
MF:C9H11BrO
MW:215.087042093277
CID:354839
PubChem ID:22935598
Update Time:2025-04-19
Phenol, 3-bromo-2,4,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-bromo-2,4,5-trimethyl-
- 3-bromo-2,4,5-trimethylphenol
- 54344-94-4
- DTXSID20629095
- SCHEMBL2471296
- FUYAOUHCDUMHGW-UHFFFAOYSA-N
-
- Inchi： 1S/C9H11BrO/c1-5-4-8(11)7(3)9(10)6(5)2/h4,11H,1-3H3
- InChI Key： FUYAOUHCDUMHGW-UHFFFAOYSA-N
- SMILES： BrC1=C(C)C(=CC(C)=C1C)O
Computed Properties
- Exact Mass: 213.99933
- Monoisotopic Mass: 213.99933g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 138
- 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: 3.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 3-bromo-2,4,5-trimethyl- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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