Cas no 502465-81-8 (Benzoic acid, 5-bromo-2-chloro-, phenylmethyl ester)
502465-81-8 structure
Product Name:Benzoic acid, 5-bromo-2-chloro-, phenylmethyl ester
CAS No:502465-81-8
MF:C14H10BrClO2
MW:325.585002422333
CID:365500
PubChem ID:71366718
Update Time:2025-04-19
Benzoic acid, 5-bromo-2-chloro-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-bromo-2-chloro-, phenylmethyl ester
- benzyl 5-bromo-2-chlorobenzoate
- 502465-81-8
- DTXSID00790070
-
- Inchi： 1S/C14H10BrClO2/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
- InChI Key： YGLHFYCZWMIBKW-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=C1)C(=O)OCC1C=CC=CC=1)Cl
Computed Properties
- Exact Mass: 323.9553
- Monoisotopic Mass: 323.95527g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 279
- 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: 4.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 5-bromo-2-chloro-, phenylmethyl ester Related Literature
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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