| CAS Number | 154128-88-8 |
| Catalog Number | AG01BELQ(AGN-PC-079UUE) |
| Chemical Name | (Pentafluorophenyl)methanamine hydrochloride |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C7H4F5N.ClH/c8-3-2(1-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H |
| InChI Key | PDFKMRFDNPPFRZ-UHFFFAOYSA-N |
| MDL Number | MFCD00971705 |
| Molecular Formula | C7H5ClF5N |
| Molecular Weight | 233.5663 |
| SMILES | Cl.NCC1=C(F)C(F)=C(F)C(F)=C1F |
| Synonyms | 154128-88-8,
(pentafluorophenyl)methanamine hydrochloride,
Pentafluorbenzylaminhydrochlorid,
CTK0E7897,
DTXSID50661286,
Pentafluorobenzylamine hydrochloride,
MFCD00971705,
1-(Pentafluorophenyl)methanamine--hydrogen chloride (1/1),
Benzenemethanamine, 2,3,4,5,6-pentafluoro-, hydrochloride,
(2,3,4,5,6-pentafluorophenyl)methanamine,hydrochloride,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.566g/mol |
| Monoisotopic Mass | 233.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number