Cas no 7143-95-5 (Benzoicacid, 4-methyl-, 2-bromoethyl ester)
7143-95-5 structure
Product Name:Benzoicacid, 4-methyl-, 2-bromoethyl ester
CAS No:7143-95-5
MF:C10H11BrO2
MW:243.097142457962
CID:581590
PubChem ID:230192
Update Time:2025-04-19
Benzoicacid, 4-methyl-, 2-bromoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 4-methyl-, 2-bromoethyl ester
- 2-bromoethyl 4-methylbenzoate
- AC1L5IZP
- AC1Q66HG
- AG-J-01501
- AR-1D9610
- CTK5D4069
- KB-229178
- NSC24782
- NSC-24782
- 7143-95-5
- DTXSID80282165
-
- Inchi： 1S/C10H11BrO2/c1-8-2-4-9(5-3-8)10(12)13-7-6-11/h2-5H,6-7H2,1H3
- InChI Key： AEBLMXYXMMHYDL-UHFFFAOYSA-N
- SMILES： BrCCOC(C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 241.99423
- Monoisotopic Mass: 241.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 162
- 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: 3.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 2.54670
Benzoicacid, 4-methyl-, 2-bromoethyl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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