| CAS Number | 96498-79-2 |
| Catalog Number | AG019PIB(AGN-PC-0MJRDC) |
| Chemical Name | 3-Amino-6-bromoquinazolin-4(3H)-one |
| IUPAC Name | 3-amino-6-bromoquinazolin-4-one |
| InChI | InChI=1S/C8H6BrN3O/c9-5-1-2-7-6(3-5)8(13)12(10)4-11-7/h1-4H,10H2 |
| InChI Key | KAUIMEGESZUAKR-UHFFFAOYSA-N |
| MDL Number | MFCD07838463 |
| Molecular Formula | C8H6BrN3O |
| Molecular Weight | 240.0567 |
| SMILES | NN1C(=O)C2=C(C=CC(=C2)Br)N=C1 |
| Synonyms | 3-amino-6-bromoquinazolin-4(3H)-one,
96498-79-2,
3-amino-6-bromo-3,4-dihydroquinazolin-4-one,
AC1PG83P,
AC1Q54QE,
SCHEMBL3751890,
CTK5H8741,
3-amino-6-bromoquinazolin-4-one,
DTXSID00429252,
KAUIMEGESZUAKR-UHFFFAOYSA-N,
ZINC7779435,
AKOS000126806,
MCULE-2244582483,
3-Amino-6-bromo-quinazolin-4(3H)-one,
EN300-23791,
Z166605476,
ZINC07779435,
CID8893232,
3-AMINO-6-BROMOQUINAZOLIN-4 -ONE,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.06g/mol |
| Monoisotopic Mass | 238.969g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number