| CAS Number | 1429194-04-6 |
| Catalog Number | AG00ILQV(AGN-PC-0WQUL6) |
| Chemical Name | N,N-Bis(4-bromophenyl)-4-fluoroaniline |
| IUPAC Name | N,N-bis(4-bromophenyl)-4-fluoroaniline |
| InChI | InChI=1S/C18H12Br2FN/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H |
| InChI Key | LQSPHAXAQUUQDE-UHFFFAOYSA-N |
| MDL Number | MFCD31618116 |
| Molecular Formula | C18H12Br2FN |
| Molecular Weight | 421.1010 |
| SMILES | FC1=CC=C(C=C1)N(C2=CC=C(Br)C=C2)C3=CC=C(Br)C=C3 |
| Synonyms | N,N-Bis(4-bromophenyl)-4-fluoroaniline,
1429194-04-6,
SCHEMBL18381153,
4,4'-Dibromo-4''-fluorotriphenylamine,
N,N-Bis(4-bromophenyl)-4-fluorobenzenamine,
B5637,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.107g/mol |
| Monoisotopic Mass | 418.932g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number