| CAS Number | 174567-34-1 |
| Catalog Number | AG00AMN9 |
| Chemical Name | 2-Methyl-6-nitro-3,4-dihydro-2H-1,4-benzoxazine |
| IUPAC Name | 2-methyl-6-nitro-3,4-dihydro-2H-1,4-benzoxazine |
| InChI | InChI=1S/C9H10N2O3/c1-6-5-10-8-4-7(11(12)13)2-3-9(8)14-6/h2-4,6,10H,5H2,1H3 |
| InChI Key | WTAGNTAYRIAHAZ-UHFFFAOYSA-N |
| MDL Number | MFCD23379860 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| SMILES | CC1CNc2c(O1)ccc(c2)[N+](=O)[O-] |
| Synonyms | 2-methyl-6-nitro-3,4-dihydro-2H-1,4-benzoxazine,
1512914-00-9,
174567-34-1,
SCHEMBL11985044,
WTAGNTAYRIAHAZ-UHFFFAOYSA-N,
MFCD23379860,
AKOS022961311,
Y2373,
2-methyl-6-nitro-3,4-dihydro-2H-benzo[b][1,4]oxazine,
2-Methyl-6-nitro-3,4-dihydro-2H-1,4-benzoxazine, 97%,
C9H10N2O3,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.19g/mol |
| Monoisotopic Mass | 194.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number