| CAS Number | 177167-05-4 |
| Catalog Number | AG002559(AGN-PC-0WG4QI) |
| Chemical Name | 6-Bromo-2-chloromethyl-1H-quinazolin-4-one |
| IUPAC Name | 6-bromo-2-(chloromethyl)-3H-quinazolin-4-one |
| InChI | InChI=1S/C9H6BrClN2O/c10-5-1-2-7-6(3-5)9(14)13-8(4-11)12-7/h1-3H,4H2,(H,12,13,14) |
| InChI Key | YWQRRCDOIGNYEJ-UHFFFAOYSA-N |
| MDL Number | MFCD06347511 |
| Molecular Formula | C9H6BrClN2O |
| Molecular Weight | 273.5137 |
| SMILES | ClCC1NC(=O)C2=C(C=CC(=C2)Br)N=1 |
| Synonyms | 177167-05-4,
6-bromo-2-(chloromethyl)quinazolin-4(3H)-one,
6-bromo-2-(chloromethyl)-1H-quinazolin-4-one,
6-BroMo-2-chloroMethyl-1H-quinazolin-4-one,
6-Bromo-2-(chloromethyl)-4(3H)-quinazolinone,
6-bromo-2-(chloromethyl)-3-hydroquinazolin-4-one,
AC1M17G1,
SCHEMBL3110721,
CTK6H6922,
ZINC5932262,
MFCD06347511,
SBB018735,
STK694382,
AKOS000126810,
MCULE-6755334802,
6-Bromo-2-chloromethyl-quinazolin-4-ol,
ST4145646,
CS-0036400,
4(3H)-Quinazolinone, 6-bromo-2-(chloromethyl)-,
CID2090153,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.514g/mol |
| Monoisotopic Mass | 271.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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