| CAS Number | 1401817-80-8 |
| Catalog Number | AG01ELCV |
| Chemical Name | 3-Bromo-5-Fluoro-N1-Methylbenzene-1,2-Diamine |
| IUPAC Name | 3-bromo-5-fluoro-1-N-methylbenzene-1,2-diamine |
| InChI | InChI=1S/C7H8BrFN2/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3,11H,10H2,1H3 |
| InChI Key | KPTPEMIBVRQYTN-UHFFFAOYSA-N |
| MDL Number | MFCD31666125 |
| Molecular Formula | C7H8BrFN2 |
| Molecular Weight | 219.0542 |
| SMILES | NC1=C(Br)C=C(F)C=C1NC |
| Synonyms | 3-bromo-5-fluoro-N1-methylbenzene-1,2-diamine,
1401817-80-8,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.057g/mol |
| Monoisotopic Mass | 217.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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