| CAS Number | 80026-13-7 |
| Catalog Number | AG00ID37(AGN-PC-00K8I6) |
| Chemical Name | Benzenamine, 4-bromo-2-chloro-3-methyl- |
| IUPAC Name | 4-bromo-2-chloro-3-methylaniline |
| InChI | InChI=1S/C7H7BrClN/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,10H2,1H3 |
| InChI Key | DVANUDQKFCIAGT-UHFFFAOYSA-N |
| MDL Number | MFCD30478267 |
| Molecular Formula | C7H7BrClN |
| Molecular Weight | 220.4942 |
| SMILES | c1(c(ccc(c1Cl)N)Br)C |
| Synonyms | 4-Bromo-2-chloro-3-methylaniline,
80026-13-7,
SCHEMBL10989330,
ZINC39348283,
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| 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 |
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Certificate of Analysis
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