| CAS Number | 1052549-39-9 |
| Catalog Number | AG019OVS |
| Chemical Name | 3-Benzyl-4-(difluoromethoxy)aniline hydrochloride |
| IUPAC Name | 3-benzyl-4-(difluoromethoxy)aniline;hydrochloride |
| InChI | InChI=1S/C14H13F2NO.ClH/c15-14(16)18-13-7-6-12(17)9-11(13)8-10-4-2-1-3-5-10;/h1-7,9,14H,8,17H2;1H |
| InChI Key | QVLZRNWEKCFCRT-UHFFFAOYSA-N |
| MDL Number | MFCD07692338 |
| Molecular Formula | C14H14ClF2NO |
| Molecular Weight | 285.7169 |
| SMILES | Cl.NC1=CC(CC2=CC=CC=C2)=C(OC(F)F)C=C1 |
| Synonyms | 3-benzyl-4-(difluoromethoxy)aniline hydrochloride,
1052549-39-9,
AC1Q3CXW,
CTK7B7456,
AKOS033418185,
MCULE-8699082507,
NE25201,
EN300-15434,
Z154666680,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.719g/mol |
| Monoisotopic Mass | 285.073g/mol |
| Rotatable Bond Count | 4 |
| 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