Cas no 716-27-8 (2-(trichloromethyl)phenyl methylcarbamate)
716-27-8 structure
Product Name:2-(trichloromethyl)phenyl methylcarbamate
CAS No:716-27-8
MF:C9H8Cl3NO2
MW:268.524319648743
CID:1751064
PubChem ID:260212
Update Time:2025-04-21
2-(trichloromethyl)phenyl methylcarbamate Chemical and Physical Properties
Names and Identifiers
-
- 2-(trichloromethyl)phenyl methylcarbamate
- NSC91217
- 2-(Trichloromethyl)phenyl hydrogen methylcarbonimidate
- DTXSID20992150
- NSC-91217
- 716-27-8
-
- Inchi： 1S/C9H8Cl3NO2/c1-13-8(14)15-7-5-3-2-4-6(7)9(10,11)12/h2-5H,1H3,(H,13,14)
- InChI Key： SIDLBVMJJATMHY-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=CC=1OC(NC)=O)(Cl)Cl
Computed Properties
- Exact Mass: 266.96224
- Monoisotopic Mass: 266.962062g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 230
- 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: 2.7
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
2-(trichloromethyl)phenyl methylcarbamate Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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