| CAS Number | 1259976-03-8 |
| Catalog Number | AG01DV4V |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-3-(3,5-dibromophenyl)propanoic acid |
| IUPAC Name | 3-(3,5-dibromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C14H17Br2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19) |
| InChI Key | HQICTPLNJXAZQF-UHFFFAOYSA-N |
| MDL Number | MFCD09916559 |
| Molecular Formula | C14H17Br2NO4 |
| Molecular Weight | 423.0971 |
| SMILES | CC(OC(NC(C(O)=O)CC1=CC(Br)=CC(Br)=C1)=O)(C)C |
| Synonyms | n-boc-3,5-dibromo-dl-phenylalanine,
1259976-03-8,
2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(3,5-DIBROMOPHENYL)PROPANOIC ACID,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 423.101g/mol |
| Monoisotopic Mass | 420.952g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number