| CAS Number | 1820747-56-5 |
| Catalog Number | AG00I156 |
| Chemical Name | 3-Bromo-5-fluoro-2-methoxyaniline HCl |
| IUPAC Name | 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride |
| InChI | InChI=1S/C7H7BrFNO.ClH/c1-11-7-5(8)2-4(9)3-6(7)10;/h2-3H,10H2,1H3;1H |
| InChI Key | TVPUTJVNIWZNDO-UHFFFAOYSA-N |
| MDL Number | MFCD26131139 |
| Molecular Formula | C7H8BrClFNO |
| Molecular Weight | 256.4999 |
| SMILES | Cl.COC1=C(Br)C=C(F)C=C1N |
| Synonyms | 3-BROMO-5-FLUORO-2-METHOXYANILINE HCL,
3-Bromo-5-fluoro-2-methoxyaniline hydrochloride,
1820747-56-5,
C7H7BrFNO.ClH,
KM3585,
Y2486,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.499g/mol |
| Monoisotopic Mass | 254.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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