Cas no 188964-30-9 (Methyl 4-bromo-3-oxooctadecanoate)
188964-30-9 structure
Product Name:Methyl 4-bromo-3-oxooctadecanoate
CAS No:188964-30-9
MF:C19H35BrO3
MW:391.383405923843
CID:2786033
PubChem ID:21187102
Update Time:2025-04-21
Methyl 4-bromo-3-oxooctadecanoate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL7947059
- UJWNUZHLHAVLQL-UHFFFAOYSA-N
- DTXSID10611207
- 188964-30-9
- Methyl 4-bromo-3-oxooctadecanoate
-
- Inchi： 1S/C19H35BrO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)18(21)16-19(22)23-2/h17H,3-16H2,1-2H3
- InChI Key： UJWNUZHLHAVLQL-UHFFFAOYSA-N
- SMILES： BrC(C(CC(=O)OC)=O)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 390.17696Da
- Monoisotopic Mass: 390.17696Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 17
- Complexity: 305
- 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: 8
- Topological Polar Surface Area: 43.4?2
Methyl 4-bromo-3-oxooctadecanoate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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