Cas no 718620-09-8 (Benzoic acid, 2-benzoyl-5-bromo-)
718620-09-8 structure
Product Name:Benzoic acid, 2-benzoyl-5-bromo-
CAS No:718620-09-8
MF:C14H9BrO3
MW:305.123463392258
CID:1751442
PubChem ID:15075797
Update Time:2025-04-21
Benzoic acid, 2-benzoyl-5-bromo- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-benzoyl-5-bromo-
- 2-benzoyl-5-bromobenzoic acid
- 718620-09-8
- DTXSID80567868
- SCHEMBL4704774
- BOLNJOOPZNLKHN-UHFFFAOYSA-N
-
- Inchi： 1S/C14H9BrO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,(H,17,18)
- InChI Key： BOLNJOOPZNLKHN-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C(C2C=CC=CC=2)=O)=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 303.97351g/mol
- Monoisotopic Mass: 303.97351g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 323
- 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: 4.4
- Topological Polar Surface Area: 54.4?2
Benzoic acid, 2-benzoyl-5-bromo- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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