| CAS Number | 1235441-60-7 |
| Catalog Number | AG01A8PL |
| Chemical Name | [5-bromo-2-(difluoromethoxy)phenyl]methanamine hydrochloride |
| IUPAC Name | [5-bromo-2-(difluoromethoxy)phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C8H8BrF2NO.ClH/c9-6-1-2-7(13-8(10)11)5(3-6)4-12;/h1-3,8H,4,12H2;1H |
| InChI Key | AAPPLXNVVIATPD-UHFFFAOYSA-N |
| MDL Number | MFCD16040140 |
| Molecular Formula | C8H9BrClF2NO |
| Molecular Weight | 288.5170 |
| SMILES | Cl.NCC1=C(OC(F)F)C=CC(Br)=C1 |
| Synonyms | [5-bromo-2-(difluoromethoxy)phenyl]methanamine hydrochloride,
1235441-60-7,
AC1Q3D62,
MCULE-5606084873,
NE24165,
EN300-62257,
Z992716854,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.517g/mol |
| Monoisotopic Mass | 286.952g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number