Cas no 3942-57-2 (Phenol,2,4,5-trichloro-, 1-(N-methylcarbamate))
3942-57-2 structure
Product Name:Phenol,2,4,5-trichloro-, 1-(N-methylcarbamate)
CAS No:3942-57-2
MF:C8H6Cl3NO2
MW:254.497739315033
CID:322183
PubChem ID:227025
Update Time:2025-04-19
Phenol,2,4,5-trichloro-, 1-(N-methylcarbamate) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2,4,5-trichloro-, 1-(N-methylcarbamate)
- (2,4,5-trichlorophenyl) N-methylcarbamate
- 2,4,5-trichlorophenyl methylcarbamate
- 2,4,5-trichlorophenyl N-methylcarbamate
- AC1L5F6Z
- AC1Q3MMK
- AG-K-87259
- AR-1D2948
- CTK4I1349
- methyl-carbamic acid-(2,4,5-trichloro-phenyl ester)
- Methyl-carbamidsaeure-(2,4,5-trichlor-phenylester)
- NSC18115
- NSC-18115
- DTXSID70280711
- 3942-57-2
- SCHEMBL11798902
-
- Inchi： 1S/C8H6Cl3NO2/c1-12-8(13)14-7-3-5(10)4(9)2-6(7)11/h2-3H,1H3,(H,12,13)
- InChI Key： NFKDYWQXMAXPKK-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1OC(NC)=O)Cl)Cl
Computed Properties
- Exact Mass: 252.94658
- Monoisotopic Mass: 252.946412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 3.1
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
- LogP: 3.75590
Phenol,2,4,5-trichloro-, 1-(N-methylcarbamate) Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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