Cas no 86711-87-7 (Butanoic acid, 2-bromo-, dodecyl ester)
86711-87-7 structure
Product Name:Butanoic acid, 2-bromo-, dodecyl ester
CAS No:86711-87-7
MF:C16H31BrO2
MW:335.320144891739
CID:660831
PubChem ID:527507
Update Time:2025-04-19
Butanoic acid, 2-bromo-, dodecyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 2-bromo-, dodecyl ester
- dodecyl 2-bromobutanoate
- NXCHIIAWZIHPAX-UHFFFAOYSA-N
- SCHEMBL21811415
- 86711-87-7
- DTXSID70335816
-
- Inchi： 1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-19-16(18)15(17)4-2/h15H,3-14H2,1-2H3
- InChI Key： NXCHIIAWZIHPAX-UHFFFAOYSA-N
- SMILES： BrC(CC)C(=O)OCCCCCCCCCCCC
Computed Properties
- Exact Mass: 334.15074g/mol
- Monoisotopic Mass: 334.15074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 14
- Complexity: 207
- 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: 7.4
- Topological Polar Surface Area: 26.3?2
Butanoic acid, 2-bromo-, dodecyl ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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