| CAS Number | 733744-98-4 |
| Catalog Number | AG00ICE6(AGN-PC-0CGGTA) |
| Chemical Name | 4-[(4-Bromophenyl)(4-methylphenyl)amino]benzaldehyde |
| IUPAC Name | 4-(N-(4-bromophenyl)-4-methylanilino)benzaldehyde |
| InChI | InChI=1S/C20H16BrNO/c1-15-2-8-18(9-3-15)22(20-12-6-17(21)7-13-20)19-10-4-16(14-23)5-11-19/h2-14H,1H3 |
| InChI Key | SDKPEZBGWABWKD-UHFFFAOYSA-N |
| MDL Number | MFCD16658914 |
| Molecular Formula | C20H16BrNO |
| Molecular Weight | 366.2511 |
| SMILES | CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)Br |
| Synonyms | 4-[(4-Bromophenyl)(p-tolyl)amino]benzaldehyde,
4-[(4-bromophenyl)(4-methylphenyl)amino]Benzaldehyde,
733744-98-4,
SCHEMBL16501123,
MFCD16658914,
ZINC202399891,
DB-074691,
B4922,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.258g/mol |
| Monoisotopic Mass | 365.042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
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Certificate of Analysis
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