Cas no 62688-87-3 (Propane, 1,1,1-trichloro-2-methoxy-2-methyl-)
62688-87-3 structure
Product Name:Propane, 1,1,1-trichloro-2-methoxy-2-methyl-
CAS No:62688-87-3
MF:C5H9Cl3O
MW:191.483359098434
CID:435094
PubChem ID:14399470
Update Time:2025-04-19
Propane, 1,1,1-trichloro-2-methoxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Propane, 1,1,1-trichloro-2-methoxy-2-methyl-
- 1,1,1-trichloro-2-methoxy-2-methylpropane
- SCHEMBL8208648
- DTXSID50559831
- 62688-87-3
-
- Inchi： 1S/C5H9Cl3O/c1-4(2,9-3)5(6,7)8/h1-3H3
- InChI Key： IHOHQNZGGYPPSY-UHFFFAOYSA-N
- SMILES： ClC(C(C)(C)OC)(Cl)Cl
Computed Properties
- Exact Mass: 189.97207
- Monoisotopic Mass: 189.971898g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 94.9
- 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: 2.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Propane, 1,1,1-trichloro-2-methoxy-2-methyl- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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