| CAS Number | 501662-13-1 |
| Catalog Number | AG019VA6(AGN-PC-0WO8AS) |
| Chemical Name | 2,2,2-trifluoroethyl N-(2-chloroethyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2-chloroethyl)carbamate |
| InChI | InChI=1S/C5H7ClF3NO2/c6-1-2-10-4(11)12-3-5(7,8)9/h1-3H2,(H,10,11) |
| InChI Key | ANATVRZRQDTQDO-UHFFFAOYSA-N |
| MDL Number | MFCD12197092 |
| Molecular Formula | C5H7ClF3NO2 |
| Molecular Weight | 205.5628 |
| NSC Number | 337225 |
| SMILES | FC(COC(NCCCl)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(2-chloroethyl)carbamate,
501662-13-1,
NSC337225,
AC1L7DSN,
AC1Q4KBD,
CTK6H8463,
ZINC1576600,
AKOS026728764,
MCULE-8060210990,
NE15480,
NSC-337225,
TR-023601,
EN300-44206,
CID333682,
Tert-butyl N-(2-chloroethyl)carbamate,
71999-74-1,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.561g/mol |
| Monoisotopic Mass | 205.012g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number