Cas no 16725-35-2 (Hexadecanoic acid, 2-bromo-, methyl ester)
16725-35-2 structure
Product Name:Hexadecanoic acid, 2-bromo-, methyl ester
CAS No:16725-35-2
MF:C17H33BrO2
MW:349.346725225449
CID:1347683
PubChem ID:13706912
Update Time:2025-04-20
Hexadecanoic acid, 2-bromo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid, 2-bromo-, methyl ester
- methyl 2-bromohexadecanoate
- bromo-hexadecanoic acid methyl ester
- 2-bromo-palmitic acid methyl ester
- Methyl 2-bromo-hexadecanoate
- 16725-35-2
- DTXSID00547263
- SCHEMBL2180502
-
- Inchi： 1S/C17H33BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h16H,3-15H2,1-2H3
- InChI Key： QTHPWZRRQHIAHV-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OC)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 348.16649
- Monoisotopic Mass: 348.16639g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 15
- Complexity: 219
- 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: 8.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Hexadecanoic acid, 2-bromo-, methyl ester Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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