| CAS Number | 166100-79-4 |
| Catalog Number | AG019YMM |
| Chemical Name | 5-methyl-2-phenoxyaniline hydrochloride |
| IUPAC Name | 5-methyl-2-phenoxyaniline;hydrochloride |
| InChI | InChI=1S/C13H13NO.ClH/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11;/h2-9H,14H2,1H3;1H |
| InChI Key | RKJFCHRBYIPQDC-UHFFFAOYSA-N |
| MDL Number | MFCD22196454 |
| Molecular Formula | C13H14ClNO |
| Molecular Weight | 235.7094 |
| SMILES | Cl.CC1=CC(N)=C(OC2=CC=CC=C2)C=C1 |
| Synonyms | 5-methyl-2-phenoxyaniline hydrochloride,
166100-79-4,
NE61087,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.711g/mol |
| Monoisotopic Mass | 235.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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