| CAS Number | 938185-04-7 |
| Catalog Number | AG006024(AGN-PC-0WAJ8X) |
| Chemical Name | 6,7-Diacetoxy-4-chloro-quinazoline |
| IUPAC Name | (7-acetyloxy-4-chloroquinazolin-6-yl) acetate |
| InChI | InChI=1S/C12H9ClN2O4/c1-6(16)18-10-3-8-9(14-5-15-12(8)13)4-11(10)19-7(2)17/h3-5H,1-2H3 |
| InChI Key | ZUFINQJTXMSFEP-UHFFFAOYSA-N |
| MDL Number | MFCD10687110 |
| Molecular Formula | C12H9ClN2O4 |
| Molecular Weight | 280.6639 |
| SMILES | ClC1=C2C=C(C(=CC2=NC=N1)OC(C)=O)OC(C)=O |
| Synonyms | 938185-04-7,
4-chloroquinazoline-6,7-diyl diacetate,
6,7-Diacetoxy-4-chloro-quinazoline,
SCHEMBL1999978,
CTK5H3303,
DTXSID30650613,
ZUFINQJTXMSFEP-UHFFFAOYSA-N,
4-chloro-6,7-diacetoxyquinazoline,
6,7-Diacetoxy-4-chloroquinazoline,
4-Chloro-6,7-diacetoxy-quinazoline,
MFCD10687110,
ZINC16696769,
AS-35518,
AX8107817,
A-2602,
ACETIC ACID 6-ACETOXY-4-CHLORO-QUINAZOLIN-7-YL ESTER,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.664g/mol |
| Monoisotopic Mass | 280.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number