| CAS Number | 1067882-54-5 |
| Catalog Number | AG01C1CK |
| Chemical Name | 5-Bromo-2-chloro-4-methylaniline |
| IUPAC Name | 5-bromo-2-chloro-4-methylaniline |
| InChI | InChI=1S/C7H7BrClN/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3 |
| InChI Key | XQEPFFYBEOBNTF-UHFFFAOYSA-N |
| MDL Number | MFCD29054872 |
| Molecular Formula | C7H7BrClN |
| Molecular Weight | 220.4942 |
| SMILES | CC1=C(Br)C=C(N)C(Cl)=C1 |
| Synonyms | 5-bromo-2-chloro-4-methylaniline,
1067882-54-5,
SCHEMBL3365801,
XQEPFFYBEOBNTF-UHFFFAOYSA-N,
AKOS033816422,
ZINC147159412,
5-bromo-2-chloro-4-methyl-phenylamine,
Z2235812602,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.494g/mol |
| Monoisotopic Mass | 218.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number