Cas no 88952-04-9 (Benzoic acid, 2-methoxy-, 2-acetyl-4-bromophenyl ester)
88952-04-9 structure
Product Name:Benzoic acid, 2-methoxy-, 2-acetyl-4-bromophenyl ester
CAS No:88952-04-9
MF:C16H13BrO4
MW:349.176024198532
CID:618637
PubChem ID:13190810
Update Time:2025-04-19
Benzoic acid, 2-methoxy-, 2-acetyl-4-bromophenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-methoxy-, 2-acetyl-4-bromophenyl ester
- (2-acetyl-4-bromophenyl) 2-methoxybenzoate
- 88952-04-9
- DTXSID80526011
- 2-Acetyl-4-bromophenyl 2-methoxybenzoate
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- Inchi： 1S/C16H13BrO4/c1-10(18)13-9-11(17)7-8-15(13)21-16(19)12-5-3-4-6-14(12)20-2/h3-9H,1-2H3
- InChI Key： QDHCPQWLSGSTFK-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C(C)=O)C=1)OC(C1C=CC=CC=1OC)=O
Computed Properties
- Exact Mass: 347.99972g/mol
- Monoisotopic Mass: 347.99972g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 385
- 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: 3.7
- Topological Polar Surface Area: 52.6?2
Benzoic acid, 2-methoxy-, 2-acetyl-4-bromophenyl ester Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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