Cas no 42865-04-3 (2-PROPANOL, 1-CHLORO-3-(3-METHYLPHENOXY)-)
42865-04-3 structure
Product Name:2-PROPANOL, 1-CHLORO-3-(3-METHYLPHENOXY)-
CAS No:42865-04-3
MF:C10H13ClO2
MW:200.662022352219
CID:3267171
PubChem ID:12963486
Update Time:2025-04-21
2-PROPANOL, 1-CHLORO-3-(3-METHYLPHENOXY)- Chemical and Physical Properties
Names and Identifiers
-
- 2-PROPANOL, 1-CHLORO-3-(3-METHYLPHENOXY)-
- 1-chloro-3-(3-methylphenoxy)-2-propanol
- 42865-04-3
- SCHEMBL1496641
- DTXSID701280959
-
- Inchi： 1S/C10H13ClO2/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h2-5,9,12H,6-7H2,1H3
- InChI Key： BNQQDHHUNXPXSB-UHFFFAOYSA-N
- SMILES： C(Cl)C(O)COC1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 200.0604073Da
- Monoisotopic Mass: 200.0604073Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 141
- 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: 2.2
- Topological Polar Surface Area: 29.5?2
2-PROPANOL, 1-CHLORO-3-(3-METHYLPHENOXY)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
42865-04-3 (2-PROPANOL, 1-CHLORO-3-(3-METHYLPHENOXY)-) Related Products
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