Cas no 88486-53-7 (Benzoic acid, 3-hydroxy-, (4-bromophenyl)methyl ester)
88486-53-7 structure
Product Name:Benzoic acid, 3-hydroxy-, (4-bromophenyl)methyl ester
CAS No:88486-53-7
MF:C14H11BrO3
MW:307.139343500137
CID:630972
PubChem ID:2714976
Update Time:2025-04-19
Benzoic acid, 3-hydroxy-, (4-bromophenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-hydroxy-, (4-bromophenyl)methyl ester
- (4-bromophenyl)methyl 3-hydroxybenzoate
- Z19697354
- AKOS002505090
- 88486-53-7
- DTXSID60369044
- AB01330057-02
- NCGC00336264-01
-
- Inchi： 1S/C14H11BrO3/c15-12-6-4-10(5-7-12)9-18-14(17)11-2-1-3-13(16)8-11/h1-8,16H,9H2
- InChI Key： RYJNQCCWVCTPEB-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)COC(C1C=CC=C(C=1)O)=O
Computed Properties
- Exact Mass: 305.98916g/mol
- Monoisotopic Mass: 305.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 274
- 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
Benzoic acid, 3-hydroxy-, (4-bromophenyl)methyl ester Related Literature
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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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