| CAS Number | 1096884-89-7 |
| Catalog Number | AG00HBKE(AGN-PC-0WRA68) |
| Chemical Name | 3-Bromo-5-fluoro-2-methoxyaniline |
| IUPAC Name | 3-bromo-5-fluoro-2-methoxyaniline |
| InChI | InChI=1S/C7H7BrFNO/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,10H2,1H3 |
| InChI Key | WVYZKRWBOQSQDA-UHFFFAOYSA-N |
| MDL Number | MFCD13623651 |
| Molecular Formula | C7H7BrFNO |
| Molecular Weight | 220.0390 |
| SMILES | COC1=C(Br)C=C(F)C=C1N |
| Synonyms | 3-bromo-5-fluoro-2-methoxyaniline,
1096884-89-7,
MFCD13623651,
ZINC37250562,
AKOS009113717,
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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 |
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Certificate of Analysis
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