| CAS Number | 82419-29-2 |
| Catalog Number | AG01C32B(AGN-PC-00KOJ3) |
| Chemical Name | 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine |
| IUPAC Name | 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine |
| InChI | InChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2 |
| InChI Key | PZPVTXOFDWKYDD-UHFFFAOYSA-N |
| MDL Number | MFCD20667401 |
| Molecular Formula | C8H7F2NO |
| Molecular Weight | 171.1441 |
| SMILES | FC1=C(F)C2=C(NCCO2)C=C1 |
| Synonyms | 82419-29-2,
7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine,
7,8-Difluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine,
2H-1,4-Benzoxazine, 7,8-difluoro-3,4-dihydro-,
SCHEMBL11077788,
ZINC39383794,
AKOS017530688,
SY130753,
MFCD20667401 (95%),
Z2306627089,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.147g/mol |
| Monoisotopic Mass | 171.05g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number