Cas no 633700-70-6 (Benzoic acid, 4-bromo-, 4-hydroxyphenyl ester)
633700-70-6 structure
Product Name:Benzoic acid, 4-bromo-, 4-hydroxyphenyl ester
CAS No:633700-70-6
MF:C13H9BrO3
MW:293.112763166428
CID:1657094
Update Time:2024-09-12
Benzoic acid, 4-bromo-, 4-hydroxyphenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-bromo-, 4-hydroxyphenyl ester
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- Inchi： 1S/C13H9BrO3/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8,15H
- InChI Key： MNOZJWPXMFQEMG-UHFFFAOYSA-N
- SMILES： C(OC1=CC=C(O)C=C1)(=O)C1=CC=C(Br)C=C1
Computed Properties
- Exact Mass: 291.97347
Experimental Properties
- Density: 1.563±0.06 g/cm3(Predicted)
- Boiling Point: 433.3±30.0 °C(Predicted)
- PSA: 46.53
- pka: 9.27±0.15(Predicted)
Benzoic acid, 4-bromo-, 4-hydroxyphenyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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