| CAS Number | 1798791-44-2 |
| Catalog Number | AG0027AY(AGN-PC-0WCXR8) |
| Chemical Name | tert-Butyl 4-(2-chloropyrimidin-4-yl)-2-methylbenzylcarbamate |
| IUPAC Name | tert-butyl N-[[4-(2-chloropyrimidin-4-yl)-2-methylphenyl]methyl]carbamate |
| InChI | InChI=1S/C17H20ClN3O2/c1-11-9-12(14-7-8-19-15(18)21-14)5-6-13(11)10-20-16(22)23-17(2,3)4/h5-9H,10H2,1-4H3,(H,20,22) |
| InChI Key | TXVKGHXLXODMEL-UHFFFAOYSA-N |
| MDL Number | MFCD29044892 |
| Molecular Formula | C17H20ClN3O2 |
| Molecular Weight | 333.8126 |
| SMILES | N(CC1C=CC(C2N=C(Cl)N=CC=2)=CC=1C)C(OC(C)(C)C)=O |
| Synonyms | tert-Butyl 4-(2-chloropyrimidin-4-yl)-2-methylbenzylcarbamate,
1798791-44-2,
SCHEMBL16794118,
tert-Butyl [4-(2-chloropyrimidin-4-yl)-2-methylbenzyl]carbamate,
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| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.816g/mol |
| Monoisotopic Mass | 333.124g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.1A^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
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