| CAS Number | 1342565-88-1 |
| Catalog Number | AG01AF7Q |
| Chemical Name | 4-(4-bromophenyl)-3-methylaniline |
| IUPAC Name | 4-(4-bromophenyl)-3-methylaniline |
| InChI | InChI=1S/C13H12BrN/c1-9-8-12(15)6-7-13(9)10-2-4-11(14)5-3-10/h2-8H,15H2,1H3 |
| InChI Key | ORHWLXUNCREPNL-UHFFFAOYSA-N |
| MDL Number | MFCD19598726 |
| Molecular Formula | C13H12BrN |
| Molecular Weight | 262.1451 |
| SMILES | CC1=C(C2=CC=C(Br)C=C2)C=CC(N)=C1 |
| Synonyms | 4-(4-bromophenyl)-3-methylaniline,
1342565-88-1,
ZINC82667899,
AKOS013201802,
MCULE-8789061659,
NE45178,
4'-bromo-2-methyl-[1,1'-biphenyl]-4-amine,
Z1744660699,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.15g/mol |
| Monoisotopic Mass | 261.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number