Cas no 134582-18-6 (1-Chloro-2-hydroxy-3-(4-(2-methoxyethyl)phenoxy)-propane, (R)-)
134582-18-6 structure
Product Name:1-Chloro-2-hydroxy-3-(4-(2-methoxyethyl)phenoxy)-propane, (R)-
CAS No:134582-18-6
MF:C12H17ClO3
MW:244.714583158493
CID:6642658
PubChem ID:40472471
Update Time:2024-01-29
1-Chloro-2-hydroxy-3-(4-(2-methoxyethyl)phenoxy)-propane, (R)- Chemical and Physical Properties
Names and Identifiers
-
- (2r)-1-chloro-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol
- 134582-18-6
- UNII-9K5R3C5EUH
- Q27272652
- 9K5R3C5EUH
- (R)-1-chloro-2-hydroxy-3-(4-(2-methoxyethyl)phenoxy)-propane
- 1-Chloro-2-hydroxy-3-(4-(2-methoxyethyl)phenoxy)-propane, (R)-
- SCHEMBL15275621
- 2-Propanol, 1-chloro-3-(4-(2-methoxyethyl)phenoxy)-, (R)-
-
- Inchi： 1S/C12H17ClO3/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,14H,6-9H2,1H3/t11-/m0/s1
- InChI Key： MAVSBQOSROXJQJ-NSHDSACASA-N
- SMILES： ClC[C@@H](COC1C=CC(=CC=1)CCOC)O
Computed Properties
- Exact Mass: 244.0866221g/mol
- Monoisotopic Mass: 244.0866221g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 38.7?2
1-Chloro-2-hydroxy-3-(4-(2-methoxyethyl)phenoxy)-propane, (R)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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