Cas no 51503-06-1 (Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-)
51503-06-1 structure
Product Name:Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-
CAS No:51503-06-1
MF:C11H15ClO
MW:198.689202547073
CID:362152
PubChem ID:572366
Update Time:2025-04-19
Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)-
- 1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxy]benzene
- DTXSID70341336
- 1-Chloromethyl-3-(1,1-dimethylethoxy)benzene
- 1-tert-Butoxy-3-(chloromethyl)benzene #
- 51503-06-1
- SCHEMBL3364653
- YAQRKOUJVDPCMZ-UHFFFAOYSA-N
-
- Inchi： 1S/C11H15ClO/c1-11(2,3)13-10-6-4-5-9(7-10)8-12/h4-7H,8H2,1-3H3
- InChI Key： YAQRKOUJVDPCMZ-UHFFFAOYSA-N
- SMILES： ClCC1=CC=CC(=C1)OC(C)(C)C
Computed Properties
- Exact Mass: 198.08125
- Monoisotopic Mass: 198.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 151
- 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: 3.4
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-(chloromethyl)-3-(1,1-dimethylethoxy)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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