| CAS Number | 1355248-17-7 |
| Catalog Number | AG009X4O(AGN-PC-0WA77E) |
| Chemical Name | [1,1′-Biphenyl]-3-amine, 2′-chloro-5′-methoxy-, hydrochloride (1:1) |
| IUPAC Name | 3-(2-chloro-5-methoxyphenyl)aniline;hydrochloride |
| InChI | InChI=1S/C13H12ClNO.ClH/c1-16-11-5-6-13(14)12(8-11)9-3-2-4-10(15)7-9;/h2-8H,15H2,1H3;1H |
| InChI Key | AWRWBBZRCZKYHZ-UHFFFAOYSA-N |
| MDL Number | MFCD21332983 |
| Molecular Formula | C13H13Cl2NO |
| Molecular Weight | 270.1544 |
| SMILES | COc1ccc(c(c1)c1cccc(c1)N)Cl.Cl |
| Synonyms | 1355248-17-7,
3-(2-Chloro-5-methoxyphenyl)aniline, HCl,
3-(2-Chloro-5-methoxyphenyl)aniline HCl,
3-(2-Chloro-5-methoxyphenyl)aniline hydrochloride,
V2497,
B-8548,
C13H13Cl2NO,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.037419g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.15g/mol |
| Monoisotopic Mass | 269.037419g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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