Cas no 920007-14-3 (6-Bromohexan-3-ol)
6-Bromohexan-3-ol structure
Product Name:6-Bromohexan-3-ol
CAS No:920007-14-3
MF:C6H13BrO
MW:181.070821523666
CID:759965
PubChem ID:23557569
Update Time:2024-03-01
6-Bromohexan-3-ol Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexanol, 6-bromo-
- 6-bromohexan-3-ol
- 6-Bromohexan-3-ol
-
- Inchi： 1S/C6H13BrO/c1-2-6(8)4-3-5-7/h6,8H,2-5H2,1H3
- InChI Key： STIODKHHDQTPHD-UHFFFAOYSA-N
- SMILES： BrCCCC(CC)O
Computed Properties
- Exact Mass: 180.01498g/mol
- Monoisotopic Mass: 180.01498g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 47.8
- 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: 1.9
- Topological Polar Surface Area: 20.2
6-Bromohexan-3-ol Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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