| CAS Number | 1273585-66-2 |
| Catalog Number | AG000WY7(AGN-PC-0WCRDA) |
| Chemical Name | Methyl 2-((tert-butoxycarbonyl)amino)-2-(4-chlorophenyl)acetate |
| IUPAC Name | methyl 2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate |
| InChI | InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(18)16-11(12(17)19-4)9-5-7-10(15)8-6-9/h5-8,11H,1-4H3,(H,16,18) |
| InChI Key | HCZXBVJRVCEWCG-UHFFFAOYSA-N |
| MDL Number | MFCD24444872 |
| Molecular Formula | C14H18ClNO4 |
| Molecular Weight | 299.7500 |
| SMILES | COC(=O)C(NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 |
| Synonyms | 1273585-66-2,
Methyl 2-((tert-butoxycarbonyl)amino)-2-(4-chlorophenyl)acetate,
tert-butyl (Methoxycarbonyl)(4-chlorophenyl)MethylcarbaMate,
SCHEMBL1525465,
DTXSID60736358,
MFCD24444872,
AK142325,
AX8282185,
CS-0060991,
Methyl [(tert-butoxycarbonyl)amino](4-chlorophenyl)acetate,
Methyl 2-((t-butoxycarbonyl)amino)-2-(4-chlorophenyl)acetate,
tert-Butoxycarbonylamino 4-chlorophenylacetic acid methyl ester,
methyl 2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate,
Benzeneacetic acid, 4-chloro-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester,
HCZXBVJRVCEWCG-UHFFFAOYSA-N,
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| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.751g/mol |
| Monoisotopic Mass | 299.092g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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