| CAS Number | 1261679-26-8 |
| Catalog Number | AG01DMAL |
| Chemical Name | 3-Bromo-5-(Difluoromethoxy)Aniline |
| IUPAC Name | 3-bromo-5-(difluoromethoxy)aniline |
| InChI | InChI=1S/C7H6BrF2NO/c8-4-1-5(11)3-6(2-4)12-7(9)10/h1-3,7H,11H2 |
| InChI Key | BSJSHGSLFVAXAK-UHFFFAOYSA-N |
| MDL Number | MFCD18390861 |
| Molecular Formula | C7H6BrF2NO |
| Molecular Weight | 238.0294 |
| SMILES | NC1=CC(OC(F)F)=CC(Br)=C1 |
| Synonyms | 3-BROMO-5-(DIFLUOROMETHOXY)ANILINE,
1261679-26-8,
SCHEMBL1494673,
ZINC91691922,
AS-38330,
Benzenamine,3-bromo-5-(difluoromethoxy)-,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.96008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.03g/mol |
| Monoisotopic Mass | 236.96008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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