| CAS Number | 55687-18-8 |
| Catalog Number | AG00DKOF(AGN-PC-0NJW7H) |
| Chemical Name | 6-(Trifluoromethyl)-1H-quinoxalin-2-one |
| IUPAC Name | 6-(trifluoromethyl)-1H-quinoxalin-2-one |
| InChI | InChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)13-4-8(15)14-6/h1-4H,(H,14,15) |
| InChI Key | DJEISFASDVIILC-UHFFFAOYSA-N |
| MDL Number | MFCD03069241 |
| Molecular Formula | C9H5F3N2O |
| Molecular Weight | 214.1440 |
| SMILES | FC(F)(F)C2(=CC=1(N=CC(=O)NC=1C=C2)) |
| Synonyms | 55687-18-8,
6-Trifluoromethylquinoxalin-2-one,
6-(TRIFLUOROMETHYL)QUINOXALIN-2(1H)-ONE,
6-(trifluoromethyl)-1H-quinoxalin-2-one,
6-(trifluoromethyl)-2(1H)-quinoxalinone,
SCHEMBL10849169,
6-trifluoromethyl-2-quinoxalinol,
DTXSID60506871,
DJEISFASDVIILC-UHFFFAOYSA-N,
ZINC39268599,
AKOS015904658,
EG-0041,
AJ-99514,
AX8248053,
6-(trifluoromethyl)-1,2-dihydroquinoxalin-2-one,
A830752,
I14-17049,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.147g/mol |
| Monoisotopic Mass | 214.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number