| CAS Number | 144189-81-1 |
| Catalog Number | AG00IT9O(AGN-PC-0L9644) |
| Chemical Name | 2-(1-bromoethyl)-4(3H)-quinazolinone |
| IUPAC Name | 2-(1-bromoethyl)-3H-quinazolin-4-one |
| InChI | InChI=1S/C10H9BrN2O/c1-6(11)9-12-8-5-3-2-4-7(8)10(14)13-9/h2-6H,1H3,(H,12,13,14) |
| InChI Key | HWCHMSTXWLBOFE-UHFFFAOYSA-N |
| MDL Number | MFCD00247025 |
| Molecular Formula | C10H9BrN2O |
| Molecular Weight | 253.0953 |
| SMILES | [Br]C(C2(=NC1(=C(C=CC=C1)C(N2)=O)))C |
| Synonyms | 144189-81-1,
2-(1-bromoethyl)-4(3H)-quinazolinone,
2-(1-bromoethyl)quinazolin-4(3H)-one,
2-(1-bromoethyl)-3,4-dihydroquinazolin-4-one,
2-(1-bromo-ethyl)-3H-quinazolin-4-one,
AC1N8QWD,
SCHEMBL3824020,
HWCHMSTXWLBOFE-UHFFFAOYSA-N,
MFCD00247025,
AKOS015994273,
MCULE-2108264015,
MS-2995,
KS-0000289X,
2-(1-bromoethyl)-1H-quinazolin-4-one,
4(3H)-Quinazolinone, 2-(1-bromoethyl)-,
SR-01000308689,
SR-01000308689-1,
ZINC03135775,
CID4323120,
|
| Complexity | 277 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.099g/mol |
| Monoisotopic Mass | 251.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number