Cas no 109135-68-4 (Phenol, 2,5-dibromo-4-(bromomethyl)-)
109135-68-4 structure
Product Name:Phenol, 2,5-dibromo-4-(bromomethyl)-
CAS No:109135-68-4
MF:C7H5Br3O
MW:344.825999975204
CID:1187548
PubChem ID:21290488
Update Time:2025-04-20
Phenol, 2,5-dibromo-4-(bromomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,5-dibromo-4-(bromomethyl)-
- 2,5-dibromo-4-(bromomethyl)phenol
- DTXSID90612055
- 109135-68-4
- SCHEMBL10659064
-
- Inchi： 1S/C7H5Br3O/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2,11H,3H2
- InChI Key： KUZLEYYGBHCMAG-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=CC=1CBr)Br)O
Computed Properties
- Exact Mass: 341.78895
- 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: 1
- Complexity: 131
- 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: 3.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 2,5-dibromo-4-(bromomethyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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