| CAS Number | 90772-23-9 |
| Catalog Number | AG01AJ58(AGN-PC-0NL2JG) |
| Chemical Name | 3-(2-bromoethyl)-3,4-dihydroquinazolin-4-one |
| IUPAC Name | 3-(2-bromoethyl)quinazolin-4-one |
| InChI | InChI=1S/C10H9BrN2O/c11-5-6-13-7-12-9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2 |
| InChI Key | COWCNNNWVPGRPF-UHFFFAOYSA-N |
| MDL Number | MFCD11173710 |
| Molecular Formula | C10H9BrN2O |
| Molecular Weight | 253.0953 |
| SMILES | BrCCN1C(=O)C2=C(C=CC=C2)N=C1 |
| Synonyms | 3-(2-bromoethyl)-3,4-dihydroquinazolin-4-one,
90772-23-9,
3-(2-Bromoethyl)quinazolin-4(3H)-one,
ZINC20295892,
AKOS009245011,
NE54405,
3-(2-Bromoethyl)-4(3H)-quinazolinone,
3-(2-Bromoethyl)quinazoline-4(3H)-one,
EN300-79809,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.099g/mol |
| Monoisotopic Mass | 251.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number