| CAS Number | 100308-69-8 |
| Catalog Number | AG0093S0(AGN-PC-038W9W) |
| Chemical Name | 4,4'-Dibromo-4''-methoxytriphenylamine |
| IUPAC Name | N,N-bis(4-bromophenyl)-4-methoxyaniline |
| InChI | InChI=1S/C19H15Br2NO/c1-23-19-12-10-18(11-13-19)22(16-6-2-14(20)3-7-16)17-8-4-15(21)5-9-17/h2-13H,1H3 |
| InChI Key | ZOISYEZQRCIVDZ-UHFFFAOYSA-N |
| MDL Number | MFCD31699798 |
| Molecular Formula | C19H15Br2NO |
| Molecular Weight | 433.1365 |
| SMILES | COC1=CC=C(N(C2=CC=C(Br)C=C2)C3=CC=C(Br)C=C3)C=C1 |
| Synonyms | 4-bromo-N-(4-bromophenyl)-N-(4-methoxyphenyl)aniline,
100308-69-8,
SCHEMBL8319450,
AKOS030631373,
AK682458,
N,N-Bis(4-bromophenyl)-4-methoxyaniline,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 432.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 433.143g/mol |
| Monoisotopic Mass | 430.952g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.5 |
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Certificate of Analysis
Lot Number