| CAS Number | 1314987-48-8 |
| Catalog Number | AG00HSIP(AGN-PC-0WNQSO) |
| Chemical Name | N-bis-Boc-4-bromo-2-chloroaniline |
| IUPAC Name | tert-butyl N-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
| InChI | InChI=1S/C16H21BrClNO4/c1-15(2,3)22-13(20)19(14(21)23-16(4,5)6)12-8-7-10(17)9-11(12)18/h7-9H,1-6H3 |
| InChI Key | OWUPQDPIERQERF-UHFFFAOYSA-N |
| MDL Number | MFCD08703149 |
| Molecular Formula | C16H21BrClNO4 |
| Molecular Weight | 406.6992 |
| SMILES | Brc1ccc(c(c1)Cl)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Synonyms | N-bis-Boc-4-bromo-2-chloroaniline,
1314987-48-8,
N,N-bis(tert-butoxycarbonyl)-4-bromo-2-chloroaniline,
SCHEMBL15755068,
OWUPQDPIERQERF-UHFFFAOYSA-N,
MFCD08703149,
ZINC74938038,
AKOS032947400,
K-4120,
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| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.701g/mol |
| Monoisotopic Mass | 405.034g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
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