Cas no 85578-85-4 (14-(iodophenyl)-3-methyltetradecanoic acid)
85578-85-4 structure
Product Name:14-(iodophenyl)-3-methyltetradecanoic acid
CAS No:85578-85-4
MF:C21H33IO2
MW:444.38999915123
CID:990692
PubChem ID:135062
Update Time:2025-04-20
14-(iodophenyl)-3-methyltetradecanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 14-(iodophenyl)-3-methyltetradecanoic acid
- 14-(2-iodophenyl)-3-methyltetradecanoic acid
- DTXSID701006151
- 14-((131)Iodophenyl)-beta-methyltetradecanoic acid
- BMTDA
- I-Pbmta
- 85578-85-4
-
- Inchi： 1S/C21H33IO2/c1-18(17-21(23)24)13-9-7-5-3-2-4-6-8-10-14-19-15-11-12-16-20(19)22/h11-12,15-16,18H,2-10,13-14,17H2,1H3,(H,23,24)
- InChI Key： LNBNTCPDITYKJF-UHFFFAOYSA-N
- SMILES： IC1C=CC=CC=1CCCCCCCCCCCC(C)CC(=O)O
Computed Properties
- Exact Mass: 444.15253g/mol
- Monoisotopic Mass: 444.15253g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 14
- Complexity: 319
- 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: 8.5
- Topological Polar Surface Area: 37.3?2
14-(iodophenyl)-3-methyltetradecanoic acid Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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