Cas no 86711-83-3 (Butanoic acid, 2-bromo-, heptyl ester)
86711-83-3 structure
Product Name:Butanoic acid, 2-bromo-, heptyl ester
CAS No:86711-83-3
MF:C11H21BrO2
MW:265.18724322319
CID:660835
PubChem ID:527510
Update Time:2025-04-19
Butanoic acid, 2-bromo-, heptyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-bromo-, heptyl ester
- heptyl 2-bromobutanoate
- 1-((1Z)-N-[(Anilinocarbonyl)oxy]ethanimidoyl)-4-nitrobenzene
- 86711-83-3
- MTMOXPALHHFPIA-UHFFFAOYSA-N
- SCHEMBL21811533
- DTXSID50335819
-
- Inchi: 1S/C11H21BrO2/c1-3-5-6-7-8-9-14-11(13)10(12)4-2/h10H,3-9H2,1-2H3
- InChI Key: MTMOXPALHHFPIA-UHFFFAOYSA-N
- SMILES: BrC(C(=O)OCCCCCCC)CC
Computed Properties
- Exact Mass: 264.07249g/mol
- Monoisotopic Mass: 264.07249g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 26.3?2
Butanoic acid, 2-bromo-, heptyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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