| CAS Number | 1279870-54-0 |
| Catalog Number | AG01BB94 |
| Chemical Name | 2-(Aminomethyl)-4,6-dichlorophenol hydrochloride |
| IUPAC Name | 2-(aminomethyl)-4,6-dichlorophenol;hydrochloride |
| InChI | InChI=1S/C7H7Cl2NO.ClH/c8-5-1-4(3-10)7(11)6(9)2-5;/h1-2,11H,3,10H2;1H |
| InChI Key | QHSVFTFXNICJBZ-UHFFFAOYSA-N |
| MDL Number | MFCD28505919 |
| Molecular Formula | C7H8Cl3NO |
| Molecular Weight | 228.5035 |
| SMILES | OC1=C(Cl)C=C(Cl)C=C1CN.[H]Cl |
| Synonyms | 2-(aminomethyl)-4,6-dichlorophenol hydrochloride,
1279870-54-0,
AKOS030757283,
Z2130642309,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.497g/mol |
| Monoisotopic Mass | 226.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number