Cas no 73469-64-4 (Benzoicacid, 3-bromo-5-(1,1-dimethylethyl)-2-hydroxy-)
73469-64-4 structure
Product Name:Benzoicacid, 3-bromo-5-(1,1-dimethylethyl)-2-hydroxy-
CAS No:73469-64-4
MF:C11H13BrO3
MW:273.123122930527
CID:580904
PubChem ID:268736
Update Time:2025-04-19
Benzoicacid, 3-bromo-5-(1,1-dimethylethyl)-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 3-bromo-5-(1,1-dimethylethyl)-2-hydroxy-
- 3-bromo-5-tert-butyl-2-hydroxybenzoic acid
- 3-Brom-5-tert-butylsalicylsaeure
- AC1L6KWL
- AC1Q25S4
- AG-J-14827
- AR-1F2272
- CTK2I0977
- NSC109118
- 73469-64-4
- NSC-109118
- DTXSID30296398
- AKOS005150592
-
- Inchi： 1S/C11H13BrO3/c1-11(2,3)6-4-7(10(14)15)9(13)8(12)5-6/h4-5,13H,1-3H3,(H,14,15)
- InChI Key： ZZLUVCAIRRVAHY-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=O)O)C=C(C=1)C(C)(C)C)O
Computed Properties
- Exact Mass: 272.00479
- Monoisotopic Mass: 272.005
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 57.5?2
Experimental Properties
- Density: 1.49
- Boiling Point: 327°Cat760mmHg
- Flash Point: 151.6°C
- Refractive Index: 1.581
- PSA: 57.53
- LogP: 3.15040
Benzoicacid, 3-bromo-5-(1,1-dimethylethyl)-2-hydroxy- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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