| CAS Number | 1432682-08-0 |
| Catalog Number | AG01A38B |
| Chemical Name | 2,2-difluoro-3,4-dihydro-2H-1,4-benzoxazine |
| IUPAC Name | 2,2-difluoro-3,4-dihydro-1,4-benzoxazine |
| InChI | InChI=1S/C8H7F2NO/c9-8(10)5-11-6-3-1-2-4-7(6)12-8/h1-4,11H,5H2 |
| InChI Key | JSHKEGBIEMCGIG-UHFFFAOYSA-N |
| MDL Number | MFCD23701785 |
| Molecular Formula | C8H7F2NO |
| Molecular Weight | 171.1441 |
| SMILES | FC1(OC2=C(C=CC=C2)NC1)F |
| Synonyms | 2,2-difluoro-3,4-dihydro-2H-1,4-benzoxazine,
1432682-08-0,
ZINC90225683,
AKOS023598652,
NE43024,
Z2049516228,
|
| Complexity | 174 |
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number