| CAS Number | 1214728-66-1 |
| Catalog Number | AG01BU6U |
| Chemical Name | 3-(Aminomethyl)-4-chlorophenol hydrochloride |
| IUPAC Name | 3-(aminomethyl)-4-chlorophenol;hydrochloride |
| InChI | InChI=1S/C7H8ClNO.ClH/c8-7-2-1-6(10)3-5(7)4-9;/h1-3,10H,4,9H2;1H |
| InChI Key | KJTUXBRKXFDNLJ-UHFFFAOYSA-N |
| MDL Number | MFCD30724274 |
| Molecular Formula | C7H9Cl2NO |
| Molecular Weight | 194.0585 |
| SMILES | OC1=CC=C(Cl)C(CN)=C1.[H]Cl |
| Synonyms | 3-(aminomethyl)-4-chlorophenol hydrochloride,
1214728-66-1,
Z2785911938,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.055g/mol |
| Monoisotopic Mass | 193.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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