| CAS Number | 928821-07-2 |
| Catalog Number | AG01BUWJ(AGN-PC-02RH5O) |
| Chemical Name | 6-amino-2,4-dihydro-1H-3,1-benzoxazin-2-one |
| IUPAC Name | 6-amino-1,4-dihydro-3,1-benzoxazin-2-one |
| InChI | InChI=1S/C8H8N2O2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4,9H2,(H,10,11) |
| InChI Key | YLJAGPUCXZSPHU-UHFFFAOYSA-N |
| MDL Number | MFCD20720093 |
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.1613 |
| SMILES | NC1=CC2=C(NC(OC2)=O)C=C1 |
| Synonyms | 928821-07-2,
6-amino-1H-benzo[d][1,3]oxazin-2(4H)-one,
6-amino-2,4-dihydro-1H-3,1-benzoxazin-2-one,
2H-3,1-Benzoxazin-2-one, 6-amino-1,4-dihydro-,
SCHEMBL3597266,
DTXSID70601942,
ZINC84325012,
AKOS023413495,
SY129160,
MFCD20720093 (95%),
D-1006,
6-amino-1,4-dihydro-2h-3,1-benzoxazin-2-one,
Z2671043237,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.164g/mol |
| Monoisotopic Mass | 164.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number