| CAS Number | 1354951-46-4 |
| Catalog Number | AG00IMON(AGN-PC-0WG376) |
| Chemical Name | 2-(Difluoromethoxy)-6-fluorobenzylamine hydrochloride |
| IUPAC Name | [2-(difluoromethoxy)-6-fluorophenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C8H8F3NO.ClH/c9-6-2-1-3-7(5(6)4-12)13-8(10)11;/h1-3,8H,4,12H2;1H |
| InChI Key | DWSHGBUTBUFECI-UHFFFAOYSA-N |
| MDL Number | MFCD20731225 |
| Molecular Formula | C8H9ClF3NO |
| Molecular Weight | 227.6114 |
| SMILES | NCc1c(cccc1F)OC(F)F.Cl |
| Synonyms | 1354951-46-4,
2-(Difluoromethoxy)-6-fluorobenzylamine hydrochloride,
[2-(difluoromethoxy)-6-fluorophenyl]methanamine hydrochloride,
AKOS027312537,
MCULE-6452638272,
NE56250,
AK294384,
DS-11113,
2-(Difluoromethoxy)-6-fluorobenzyl amine HCl,
Z1281387879,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.611g/mol |
| Monoisotopic Mass | 227.032g/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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number