| CAS Number | 1795398-75-2 |
| Catalog Number | AG01BGEA |
| Chemical Name | 2-chloro-4-[(dimethylamino)methyl]phenol hydrochloride |
| IUPAC Name | 2-chloro-4-[(dimethylamino)methyl]phenol;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c1-11(2)6-7-3-4-9(12)8(10)5-7;/h3-5,12H,6H2,1-2H3;1H |
| InChI Key | HWIQWXLBHJSFFS-UHFFFAOYSA-N |
| MDL Number | MFCD28125105 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | Cl.CN(CC1=CC(Cl)=C(O)C=C1)C |
| Synonyms | 2-chloro-4-[(dimethylamino)methyl]phenol hydrochloride,
1795398-75-2,
Z1945695050,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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