Cas no 51310-29-3 (Methyl 4-(4-bromobenzoyl)benzoate)
51310-29-3 structure
Product Name:Methyl 4-(4-bromobenzoyl)benzoate
CAS No:51310-29-3
MF:C15H11BrO3
MW:319.150043725967
CID:2829717
PubChem ID:15540686
Update Time:2025-04-21
Methyl 4-(4-bromobenzoyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- FKNUXHITOZPQJK-UHFFFAOYSA-N
- DTXSID00573865
- 51310-29-3
- SCHEMBL5346214
- Methyl 4-(4-bromobenzoyl)benzoate
-
- Inchi： 1S/C15H11BrO3/c1-19-15(18)12-4-2-10(3-5-12)14(17)11-6-8-13(16)9-7-11/h2-9H,1H3
- InChI Key： FKNUXHITOZPQJK-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C(C1C=CC(C(=O)OC)=CC=1)=O
Computed Properties
- Exact Mass: 317.98916Da
- Monoisotopic Mass: 317.98916Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 326
- 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: 43.4?2
Methyl 4-(4-bromobenzoyl)benzoate Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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