Cas no 88148-54-3 (2-Butenoic acid, 3-(3-bromophenyl)-2-cyano-, ethyl ester)
88148-54-3 structure
Product Name:2-Butenoic acid, 3-(3-bromophenyl)-2-cyano-, ethyl ester
CAS No:88148-54-3
MF:C13H12BrNO2
MW:294.143882751465
CID:643203
PubChem ID:71410499
Update Time:2025-04-19
2-Butenoic acid, 3-(3-bromophenyl)-2-cyano-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 3-(3-bromophenyl)-2-cyano-, ethyl ester
- ethyl 3-(3-bromophenyl)-2-cyanobut-2-enoate
- DTXSID70830174
- 88148-54-3
-
- Inchi： 1S/C13H12BrNO2/c1-3-17-13(16)12(8-15)9(2)10-5-4-6-11(14)7-10/h4-7H,3H2,1-2H3
- InChI Key： DMZRGFZTJLFXFT-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C(C)=C(C#N)C(=O)OCC
Computed Properties
- Exact Mass: 293.00514g/mol
- Monoisotopic Mass: 293.00514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 367
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.8
- Topological Polar Surface Area: 50.1?2
2-Butenoic acid, 3-(3-bromophenyl)-2-cyano-, ethyl ester Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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