| CAS Number | 71757-16-9 |
| Catalog Number | AG01E5Q0(AGN-PC-02OG2U) |
| Chemical Name | Benzenamine, 2-bromo-4-chloro-6-iodo- |
| IUPAC Name | 2-bromo-4-chloro-6-iodoaniline |
| InChI | InChI=1S/C6H4BrClIN/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2 |
| InChI Key | KGJQFAVZGHPELU-UHFFFAOYSA-N |
| MDL Number | MFCD24160443 |
| Molecular Formula | C6H4BrClIN |
| Molecular Weight | 332.3641 |
| SMILES | Nc1c(Br)cc(cc1I)Cl |
| Synonyms | 2-bromo-4-chloro-6-iodoaniline,
71757-16-9,
SCHEMBL10796712,
KGJQFAVZGHPELU-UHFFFAOYSA-N,
AKOS030628753,
Benzenamine, 2-bromo-4-chloro-6-iodo-,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.363g/mol |
| Monoisotopic Mass | 330.826g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number