| CAS Number | 887913-67-9 |
| Catalog Number | AG01DTC1 |
| Chemical Name | 2-(3-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid |
| IUPAC Name | 2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C14H18BrNO4/c1-13(2,3)20-12(19)16-14(4,11(17)18)9-6-5-7-10(15)8-9/h5-8H,1-4H3,(H,16,19)(H,17,18) |
| InChI Key | PZJYPIJGLYNHNY-UHFFFAOYSA-N |
| MDL Number | MFCD07388955 |
| Molecular Formula | C14H18BrNO4 |
| Molecular Weight | 344.201 |
| SMILES | CC(OC(NC(C1=CC(Br)=CC=C1)(C(O)=O)C)=O)(C)C |
| Synonyms | 887913-67-9,
2-(3-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid,
AKOS013464684,
2-(3-Bromophenyl)-2-(tert-butoxycarbonylamino)propanoic acid,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.205g/mol |
| Monoisotopic Mass | 343.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number