| CAS Number | 1159976-38-1 |
| Catalog Number | AG000HES(AGN-PC-0P8FIR) |
| Chemical Name | 2-Quinazolinecarboxylic acid, 6-bromo-4-chloro-, ethyl ester |
| IUPAC Name | ethyl 6-bromo-4-chloroquinazoline-2-carboxylate |
| InChI | InChI=1S/C11H8BrClN2O2/c1-2-17-11(16)10-14-8-4-3-6(12)5-7(8)9(13)15-10/h3-5H,2H2,1H3 |
| InChI Key | LVPLDTSUQVYGIZ-UHFFFAOYSA-N |
| MDL Number | MFCD12026446 |
| Molecular Formula | C11H8BrClN2O2 |
| Molecular Weight | 315.5504 |
| SMILES | BrC=1C=C2C(=NC(=NC2=CC1)C(=O)OCC)Cl |
| Synonyms | Ethyl 6-bromo-4-chloroquinazoline-2-carboxylate,
1159976-38-1,
CTK8E5866,
DTXSID90671243,
MFCD12026446,
ZINC36075756,
AJ-92391,
OR309396,
PS-11124,
AX8280287,
DB-060809,
RT-017375,
FT-0725456,
T6183,
2-Quinazolinecarboxylic acid, 6-bromo-4-chloro-, ethyl ester,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.551g/mol |
| Monoisotopic Mass | 313.946g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number