| CAS Number | 1221288-22-7 |
| Catalog Number | AG0016T7(AGN-PC-0WBSK0) |
| Chemical Name | methyl 2-chloroquinazoline-5-carboxylate |
| IUPAC Name | methyl 2-chloroquinazoline-5-carboxylate |
| InChI | InChI=1S/C10H7ClN2O2/c1-15-9(14)6-3-2-4-8-7(6)5-12-10(11)13-8/h2-5H,1H3 |
| InChI Key | ZUJJYZRHYQSTIO-UHFFFAOYSA-N |
| MDL Number | MFCD17016012 |
| Molecular Formula | C10H7ClN2O2 |
| Molecular Weight | 222.6278 |
| SMILES | COC(=O)c1cccc2nc(Cl)ncc12 |
| Synonyms | METHYL 2-CHLOROQUINAZOLINE-5-CARBOXYLATE,
1221288-22-7,
DTXSID20725521,
KS-000003KA,
MFCD17016012,
ZINC95627665,
AKOS025290703,
PB34876,
AK170338,
AS-33646,
ST1271505,
CS-0049168,
C-8216,
5-Quinazolinecarboxylic acid, 2-chloro-, methyl ester,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.628g/mol |
| Monoisotopic Mass | 222.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number