| CAS Number | 32418-07-8 |
| Catalog Number | AG00CLUR(AGN-PC-03H31U) |
| Chemical Name | 3-Ethyl-6-nitro-1,3-benzoxazol-2-one |
| IUPAC Name | 3-ethyl-6-nitro-1,3-benzoxazol-2-one |
| InChI | InChI=1S/C9H8N2O4/c1-2-10-7-4-3-6(11(13)14)5-8(7)15-9(10)12/h3-5H,2H2,1H3 |
| InChI Key | KASMUJRVIWHUJM-UHFFFAOYSA-N |
| MDL Number | MFCD22421526 |
| Molecular Formula | C9H8N2O4 |
| Molecular Weight | 208.1708 |
| SMILES | CCn1c(=O)oc2c1ccc(c2)[N+](=O)[O-] |
| Synonyms | 3-ETHYL-6-NITRO-1,3-BENZOXAZOL-2-ONE,
32418-07-8,
SCHEMBL3043360,
KASMUJRVIWHUJM-UHFFFAOYSA-N,
KM3954,
ZINC64307388,
CJ-20991,
V5169,
3-ethyl-6-nitro-1,3-benzoxazol-2(3H)-one,
3-ethyl-6-nitro-2,3-dihydro-1,3-benzoxazol-2-one,
C9H8N2O4,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.173g/mol |
| Monoisotopic Mass | 208.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number