| CAS Number | 1235439-85-6 |
| Catalog Number | AG01A8JP |
| Chemical Name | 2-(Aminomethyl)-4-chlorophenol hydrobromide |
| IUPAC Name | 2-(aminomethyl)-4-chlorophenol;hydrobromide |
| InChI | InChI=1S/C7H8ClNO.BrH/c8-6-1-2-7(10)5(3-6)4-9;/h1-3,10H,4,9H2;1H |
| InChI Key | QOCBKHVQFAONHU-UHFFFAOYSA-N |
| MDL Number | MFCD16040083 |
| Molecular Formula | C7H9BrClNO |
| Molecular Weight | 238.5095 |
| SMILES | Br.NCC1=C(O)C=CC(Cl)=C1 |
| Synonyms | 2-(aminomethyl)-4-chlorophenol hydrobromide,
1235439-85-6,
AC1Q23L5,
EN300-61777,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.509g/mol |
| Monoisotopic Mass | 236.956g/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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Certificate of Analysis
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