| CAS Number | 289687-20-3 |
| Catalog Number | AG00BNSF(AGN-PC-0WQXKP) |
| Chemical Name | 2-BROMO-3-CHLORO-4-METHYLBENZENAMINE |
| IUPAC Name | 2-bromo-3-chloro-4-methylaniline |
| InChI | InChI=1S/C7H7BrClN/c1-4-2-3-5(10)6(8)7(4)9/h2-3H,10H2,1H3 |
| InChI Key | AANFZIRAVKGZGG-UHFFFAOYSA-N |
| MDL Number | MFCD09909333 |
| Molecular Formula | C7H7BrClN |
| Molecular Weight | 220.4942 |
| SMILES | Brc1c(Cl)c(C)ccc1N |
| Synonyms | 2-bromo-3-chloro-4-methylaniline,
289687-20-3,
2-BROMO-3-CHLORO-4-METHYLBENZENAMINE,
SCHEMBL6582691,
CTK8I0326,
DTXSID30472190,
MFCD09909333,
ZINC36421022,
2-bromo-3-chloro-4-methyl-aniline,
CID11770010,
|
| 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