Cas no 54502-93-1 (1,2-Benzenediol, 3,4-dibromo-5-(ethoxymethyl)-)
54502-93-1 structure
Product Name:1,2-Benzenediol, 3,4-dibromo-5-(ethoxymethyl)-
CAS No:54502-93-1
MF:C9H10Br2O3
MW:325.98190164566
CID:335965
PubChem ID:42645057
Update Time:2025-04-19
1,2-Benzenediol, 3,4-dibromo-5-(ethoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 3,4-dibromo-5-(ethoxymethyl)-
- 3,4-dibromo-5-(ethoxymethyl)benzene-1,2-diol
- ethyl lanosol
- 54502-93-1
- 3,4-dibromo-5-(ethoxymethyl)-1,2-benzenediol
- CHEMBL463140
- DTXSID60655318
-
- Inchi： 1S/C9H10Br2O3/c1-2-14-4-5-3-6(12)9(13)8(11)7(5)10/h3,12-13H,2,4H2,1H3
- InChI Key： KEOOZBGAPIEERQ-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=C(C=C1COCC)O)O)Br
Computed Properties
- Exact Mass: 325.89762g/mol
- Monoisotopic Mass: 323.89967g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 179
- 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: 2.6
- Topological Polar Surface Area: 49.7?2
1,2-Benzenediol, 3,4-dibromo-5-(ethoxymethyl)- Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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