| CAS Number | 1780843-50-6 |
| Catalog Number | AG01DTLU |
| Chemical Name | 2-amino-8-bromoquinazoline-4-carboxylic acid |
| IUPAC Name | 2-amino-8-bromoquinazoline-4-carboxylic acid |
| InChI | InChI=1S/C9H6BrN3O2/c10-5-3-1-2-4-6(5)12-9(11)13-7(4)8(14)15/h1-3H,(H,14,15)(H2,11,12,13) |
| InChI Key | SFQSEOVIDBBAJP-UHFFFAOYSA-N |
| MDL Number | MFCD31414467 |
| Molecular Formula | C9H6BrN3O2 |
| Molecular Weight | 268.0668 |
| SMILES | Nc1nc(C(O)=O)c2cccc(Br)c2n1 |
| Synonyms | 2-Amino-8-bromoquinazoline-4-carboxylic acid,
1780843-50-6,
SCHEMBL18012605,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.07g/mol |
| Monoisotopic Mass | 266.964g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 89.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number