| CAS Number | 1188911-77-4 |
| Catalog Number | AG00HESY(AGN-PC-0WQXM1) |
| Chemical Name | [5-(2,2,2-Trifluoro-1,1-dimethyl-ethyl)-isoxazol-3-yl]-carbamic acid phenyl ester |
| IUPAC Name | phenyl N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate |
| InChI | InChI=1S/C14H13F3N2O3/c1-13(2,14(15,16)17)10-8-11(19-22-10)18-12(20)21-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,18,19,20) |
| InChI Key | KDJWLVDAZBRXOD-UHFFFAOYSA-N |
| MDL Number | MFCD28404664 |
| Molecular Formula | C14H13F3N2O3 |
| Molecular Weight | 314.2598 |
| SMILES | CC(C)(C1=CC(NC(=O)OC2=CC=CC=C2)=NO1)C(F)(F)F |
| Synonyms | 1188911-77-4,
[5-(2,2,2-Trifluoro-1,1-dimethyl-ethyl)-isoxazol-3-yl]-carbamic acid phenyl ester,
Phenyl (5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)carbamate,
SCHEMBL1015351,
KDJWLVDAZBRXOD-UHFFFAOYSA-N,
MFCD28404664,
ZINC115037304,
AS-38242,
phenyl 5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-ylcarbamate,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.264g/mol |
| Monoisotopic Mass | 314.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Lot Number