| CAS Number | 887969-56-4 |
| Catalog Number | AG00IFH2(AGN-PC-0WG4AY) |
| Chemical Name | Methyl 3-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)-2-methylpropanoate |
| IUPAC Name | methyl 3-(3-bromophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C16H22BrNO4/c1-15(2,3)22-14(20)18-16(4,13(19)21-5)10-11-7-6-8-12(17)9-11/h6-9H,10H2,1-5H3,(H,18,20) |
| InChI Key | XZTPATIBXJQOOT-UHFFFAOYSA-N |
| MDL Number | MFCD30185886 |
| Molecular Formula | C16H22BrNO4 |
| Molecular Weight | 372.2542 |
| SMILES | COC(=O)C(C)(Cc1cccc(Br)c1)NC(=O)OC(C)(C)C |
| Synonyms | 887969-56-4,
Methyl 3-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)-2-methylpropanoate,
METHYL 3-(3-BROMOPHENYL)-2-(TERT-BUTOXYCARBONYLAMINO)-2-METHYLPROPANOATE,
SCHEMBL12621547,
MFCD30185886,
CS-0036621,
Methyl 3-(3-bromophenyl)-2-(t-butoxycarbonylamino)-2-methylpropanoate,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.259g/mol |
| Monoisotopic Mass | 371.073g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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