Cas no 3973-52-2 (Benzoic acid, 2-[2-(4-bromophenyl)ethyl]-)
![Benzoic acid, 2-[2-(4-bromophenyl)ethyl]- structure](https://ossimg.kuujia.com/scimg/4000/3973-52-2x500.png)
3973-52-2 structure
Product Name:Benzoic acid, 2-[2-(4-bromophenyl)ethyl]-
CAS No:3973-52-2
MF:C15H13BrO2
MW:305.166523694992
CID:1514675
PubChem ID:11449587
Update Time:2025-04-21
Benzoic acid, 2-[2-(4-bromophenyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-[2-(4-bromophenyl)ethyl]-
- 2-[2-(4-bromophenyl)ethyl]Benzoic acid
- IWJYTHFNMHRKKP-UHFFFAOYSA-N
- DB-313374
- DTXSID50466298
- 3973-52-2
- SCHEMBL9068428
- benzoic acid,2-[2-(4-bromophenyl)ethyl]-
- 2-(p-bromophenethyl)benzoic acid
- 2-(4-bromophenethyl)-benzoic acid
-
- Inchi： 1S/C15H13BrO2/c16-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)15(17)18/h1-4,6-7,9-10H,5,8H2,(H,17,18)
- InChI Key： IWJYTHFNMHRKKP-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)CCC1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 304.00989
- Monoisotopic Mass: 304.00989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 272
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzoic acid, 2-[2-(4-bromophenyl)ethyl]- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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