Cas no 36984-14-2 (Propanamide,2-(4-chloro-2-methylphenoxy)-)
36984-14-2 structure
Product Name:Propanamide,2-(4-chloro-2-methylphenoxy)-
CAS No:36984-14-2
MF:C10H12ClNO2
MW:213.660781860352
CID:306972
PubChem ID:3015881
Update Time:2025-04-19
Propanamide,2-(4-chloro-2-methylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanamide,2-(4-chloro-2-methylphenoxy)-
- 2-(4-chloro-2-methylphenoxy)propanamide
- 2-(4-Chloro-2-methylphenoxy)propionamide
- EINECS 253-298-1
- DTXSID00958158
- AKOS008906098
- 36984-14-2
- 2-(4-Chloro-2-methylphenoxy)propanimidic acid
- NS00057535
- SCHEMBL8505592
-
- Inchi： 1S/C10H12ClNO2/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H2,12,13)
- InChI Key： DIQNVUMPQBMXFB-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C)C=1)OC(C(N)=O)C
Computed Properties
- Exact Mass: 213.05576
- Monoisotopic Mass: 213.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 210
- 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: 2.5
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32
Propanamide,2-(4-chloro-2-methylphenoxy)- Related Literature
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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