| CAS Number | 1951439-40-9 |
| Catalog Number | AG00I35U(AGN-PC-0WP1ST) |
| Chemical Name | 3-Fluoro-2-methoxyaniline hydrochloride |
| IUPAC Name | 3-fluoro-2-methoxyaniline;hydrochloride |
| InChI | InChI=1S/C7H8FNO.ClH/c1-10-7-5(8)3-2-4-6(7)9;/h2-4H,9H2,1H3;1H |
| InChI Key | IWUALJJVQWVBSN-UHFFFAOYSA-N |
| MDL Number | MFCD30182389 |
| Molecular Formula | C7H9ClFNO |
| Molecular Weight | 177.6039 |
| SMILES | COc1c(N)cccc1F.Cl |
| Synonyms | 3-Fluoro-2-methoxyaniline hydrochloride,
1951439-40-9,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.603g/mol |
| Monoisotopic Mass | 177.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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