Cas no 791796-06-0 (Benzoic acid,2,5-dibromo-, 4-hydroxyphenyl ester)
791796-06-0 structure
Product Name:Benzoic acid,2,5-dibromo-, 4-hydroxyphenyl ester
CAS No:791796-06-0
MF:C13H8Br2O3
MW:372.008822441101
CID:562312
PubChem ID:1019393
Update Time:2025-04-19
Benzoic acid,2,5-dibromo-, 4-hydroxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,5-dibromo-, 4-hydroxyphenyl ester
- 5-dibroMo
- Benzoic acid, 2,5-dibromo-, 4-hydroxyphenyl ester
- 4-hydroxyphenyl 2,5-dibromobenzoate
- 2,5-Dibromo-benzoic acid 4-hydroxyphenyl ester
- (4-hydroxyphenyl) 2,5-dibromobenzoate
- AN-652/41675074
- 791796-06-0
-
- Inchi： 1S/C13H8Br2O3/c14-8-1-6-12(15)11(7-8)13(17)18-10-4-2-9(16)3-5-10/h1-7,16H
- InChI Key： PWYPBRLIJRYTCL-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1C(=O)OC1C=CC(=CC=1)O)Br
Computed Properties
- Exact Mass: 369.88400
- Monoisotopic Mass: 369.88402g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 290
- 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: 4.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.826
- Boiling Point: 486.3°C at 760 mmHg
- Flash Point: 247.9°C
- Refractive Index: 1.659
- PSA: 46.53000
- LogP: 4.13640
Benzoic acid,2,5-dibromo-, 4-hydroxyphenyl ester Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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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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