| CAS Number | 1087788-84-8 |
| Catalog Number | AG019QTU |
| Chemical Name | 2,2,2-trifluoroethyl N-(2,5-diethoxyphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2,5-diethoxyphenyl)carbamate |
| InChI | InChI=1S/C13H16F3NO4/c1-3-19-9-5-6-11(20-4-2)10(7-9)17-12(18)21-8-13(14,15)16/h5-7H,3-4,8H2,1-2H3,(H,17,18) |
| InChI Key | HAPNXIULMXGNLH-UHFFFAOYSA-N |
| MDL Number | MFCD11099843 |
| Molecular Formula | C13H16F3NO4 |
| Molecular Weight | 307.2656 |
| SMILES | CCOC1=CC(NC(OCC(F)(F)F)=O)=C(OCC)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(2,5-diethoxyphenyl)carbamate,
2,2,2-trifluoroethyl 2,5-diethoxyphenylcarbamate,
1087788-84-8,
CTK6G2492,
AC1Q3643,
ZINC32628854,
AKOS009102411,
NE55836,
EN300-88314,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.269g/mol |
| Monoisotopic Mass | 307.103g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number