| CAS Number | 25936-17-8 |
| Catalog Number | AG00BIEP(AGN-PC-0WAC1Z) |
| Chemical Name | 6-Nitro-3-propyl-1,3-benzoxazol-2-one |
| IUPAC Name | 6-nitro-3-propyl-1,3-benzoxazol-2-one |
| InChI | InChI=1S/C10H10N2O4/c1-2-5-11-8-4-3-7(12(14)15)6-9(8)16-10(11)13/h3-4,6H,2,5H2,1H3 |
| InChI Key | ISQRICLAHYLKQY-UHFFFAOYSA-N |
| MDL Number | MFCD22421527 |
| Molecular Formula | C10H10N2O4 |
| Molecular Weight | 222.1974 |
| SMILES | CCCn1c(=O)oc2c1ccc(c2)[N+](=O)[O-] |
| Synonyms | 6-NITRO-3-PROPYL-1,3-BENZOXAZOL-2-ONE,
25936-17-8,
KM3955,
ZINC95495682,
AKOS026673634,
V4731,
C10H10N2O4,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.2g/mol |
| Monoisotopic Mass | 222.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number