| CAS Number | 1261216-27-6 |
| Catalog Number | AG000RO1(AGN-PC-0WCMS1) |
| Chemical Name | Benzenamine, 4-bromo-2-fluoro-6-methoxy- |
| IUPAC Name | 4-bromo-2-fluoro-6-methoxyaniline |
| InChI | InChI=1S/C7H7BrFNO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3 |
| InChI Key | CQWYWIXRAJDEKN-UHFFFAOYSA-N |
| MDL Number | MFCD22418610 |
| Molecular Formula | C7H7BrFNO |
| Molecular Weight | 220.0390 |
| SMILES | BrC1=CC(=C(N)C(=C1)OC)F |
| Synonyms | 4-bromo-2-fluoro-6-methoxyaniline,
1261216-27-6,
Benzenamine, 4-bromo-2-fluoro-6-methoxy-,
SCHEMBL934101,
MFCD22418610,
ZINC114872666,
FCH2260618,
PC501277,
PS-11699,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.041g/mol |
| Monoisotopic Mass | 218.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number