| CAS Number | 80195-33-1 |
| Catalog Number | AG0054DP(AGN-PC-00K6TO) |
| Chemical Name | 4(1H)-Quinazolinone, 2-chloro-6-nitro- |
| IUPAC Name | 2-chloro-6-nitro-3H-quinazolin-4-one |
| InChI | InChI=1S/C8H4ClN3O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-3H,(H,10,11,13) |
| InChI Key | MLJRXYMXBVELPQ-UHFFFAOYSA-N |
| MDL Number | MFCD28125000 |
| Molecular Formula | C8H4ClN3O3 |
| Molecular Weight | 225.5887 |
| SMILES | C1=CC2=NC(=NC(=C2C=C1[N+](=O)[O-])O)Cl |
| Synonyms | 80195-33-1,
2-Chloro-6-nitroquinazolin-4(1H)-one,
2-Chloro-6-nitroquinazolin-4(3H)-one,
SCHEMBL3020634,
SCHEMBL11154554,
2-chloro-6-nitro-4-quinazolone,
CTK2I7621,
DTXSID50513574,
MLJRXYMXBVELPQ-UHFFFAOYSA-N,
ZINC39345960,
AKOS030528778,
2-chloro-4-hydroxy-6-nitro-quinazoline,
2-chloro-6-nitro-3H-quinazolin-4-one,
4(3H)-Quinazolinone, 2-chloro-6-nitro-,
4(1H)-Quinazolinone, 2-chloro-6-nitro-,
2-chloro-6-nitro-3,4-dihydroquinazolin-4-one,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.588g/mol |
| Monoisotopic Mass | 224.994g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 87.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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