Cas no 63834-60-6 (3-(2-bromo-6-propylphenoxy)propane-1,2-diol)
63834-60-6 structure
Product Name:3-(2-bromo-6-propylphenoxy)propane-1,2-diol
CAS No:63834-60-6
MF:C12H17BrO3
MW:289.165583372116
CID:1660020
PubChem ID:113927
Update Time:2025-04-21
3-(2-bromo-6-propylphenoxy)propane-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- 3-(2-bromo-6-propylphenoxy)propane-1,2-diol
- 1,2-propanediol, 3-(2-bromo-6-propylphenoxy)-
- 3-(2-Bromo-6-propylphenoxy)-1,2-propanediol
- 63834-60-6
- DB-314437
- DTXSID20980456
-
- Inchi： 1S/C12H17BrO3/c1-2-4-9-5-3-6-11(13)12(9)16-8-10(15)7-14/h3,5-6,10,14-15H,2,4,7-8H2,1H3
- InChI Key： RNKBIXXGAAQHCZ-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1OCC(CO)O)CCC
Computed Properties
- Exact Mass: 288.03611
- Monoisotopic Mass: 288.03611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 189
- 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: 2.6
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
3-(2-bromo-6-propylphenoxy)propane-1,2-diol Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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