| CAS Number | 1133115-68-0 |
| Catalog Number | AG003RMH(AGN-PC-07XU6C) |
| Chemical Name | Methyl 2-amino-4-(2-chlorophenyl)pyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(2-chlorophenyl)pyrimidine-5-carboxylate |
| InChI | InChI=1S/C12H10ClN3O2/c1-18-11(17)8-6-15-12(14)16-10(8)7-4-2-3-5-9(7)13/h2-6H,1H3,(H2,14,15,16) |
| InChI Key | XQDWVQDZQSJIBP-UHFFFAOYSA-N |
| MDL Number | MFCD11855882 |
| Molecular Formula | C12H10ClN3O2 |
| Molecular Weight | 263.6797 |
| SMILES | COC(=O)c1cnc(nc1c1ccccc1Cl)N |
| Synonyms | METHYL 2-AMINO-4-(2-CHLOROPHENYL)PYRIMIDINE-5-CARBOXYLATE,
1133115-68-0,
ACMC-2099ig,
CTK4A8220,
DTXSID70674838,
ANW-16598,
MFCD11855882,
ZINC38537300,
AKOS015854830,
RTR-002553,
AJ-96052,
CJ-19423,
AX8229585,
ST2407130,
TR-002553,
Z7435,
A-4987,
I03-854,
C12H10ClN3O2,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.681g/mol |
| Monoisotopic Mass | 263.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number