| CAS Number | 1156195-94-6 |
| Catalog Number | AG01A00G |
| Chemical Name | 7-[(2-methoxyethyl)amino]-6-nitro-3,4-dihydroquinazolin-4-one |
| IUPAC Name | 7-(2-methoxyethylamino)-6-nitro-3H-quinazolin-4-one |
| InChI | InChI=1S/C11H12N4O4/c1-19-3-2-12-9-5-8-7(4-10(9)15(17)18)11(16)14-6-13-8/h4-6,12H,2-3H2,1H3,(H,13,14,16) |
| InChI Key | PMJWXLFGZLTMEI-UHFFFAOYSA-N |
| MDL Number | MFCD12739537 |
| Molecular Formula | C11H12N4O4 |
| Molecular Weight | 264.2374 |
| SMILES | COCCNC1=C([N+]([O-])=O)C=C2C(N=CNC2=O)=C1 |
| Synonyms | 7-[(2-methoxyethyl)amino]-6-nitro-3,4-dihydroquinazolin-4-one,
1156195-94-6,
7-((2-Methoxyethyl)amino)-6-nitroquinazolin-4(3H)-one,
ZINC35098384,
AKOS009084545,
NE61697,
RP29404,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.241g/mol |
| Monoisotopic Mass | 264.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number