Cas no 71648-29-8 (Tetradecanoic acid,bromo-, ethyl ester (9CI))
71648-29-8 structure
Product Name:Tetradecanoic acid,bromo-, ethyl ester (9CI)
CAS No:71648-29-8
MF:C16H31BrO2
MW:335.320144891739
CID:569027
PubChem ID:44146153
Update Time:2025-04-19
Tetradecanoic acid,bromo-, ethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid,bromo-, ethyl ester (9CI)
- Ethyl bromotetradecanoate
- ethyl 14-bromotetradecanoate
- 71648-29-8
- DTXSID90992223
- 35295-46-6
- EINECS 275-758-0
- SCHEMBL24597734
- starbld0043239
-
- Inchi： 1S/C16H31BrO2/c1-2-19-16(18)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h2-15H2,1H3
- InChI Key： BLIVXWAVRICWQX-UHFFFAOYSA-N
- SMILES： BrCCCCCCCCCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 334.15083
- 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: 15
- Complexity: 195
- 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: 6.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Tetradecanoic acid,bromo-, ethyl ester (9CI) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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