Cas no 65565-11-9 (Benzoic acid, 2-(3-bromobenzoyl)-)
65565-11-9 structure
Product Name:Benzoic acid, 2-(3-bromobenzoyl)-
CAS No:65565-11-9
MF:C14H9BrO3
MW:305.123463392258
CID:398314
PubChem ID:14924111
Update Time:2025-04-19
Benzoic acid, 2-(3-bromobenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(3-bromobenzoyl)-
- 2-(3-bromobenzoyl)benzoic acid
- FT-0724498
- DTXSID50565497
- SCHEMBL8244875
- 65565-11-9
-
- Inchi： 1S/C14H9BrO3/c15-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)14(17)18/h1-8H,(H,17,18)
- InChI Key： OREZKFHBYZRYJH-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C(C1C=CC=CC=1C(=O)O)=O
Computed Properties
- Exact Mass: 303.97347
- 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: 329
- 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: 3.2
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Benzoic acid, 2-(3-bromobenzoyl)- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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