| CAS Number | 1352318-30-9 |
| Catalog Number | AG009X4R(AGN-PC-0WA7A8) |
| Chemical Name | 3-(3-Chloro-4-methylphenyl)aniline, HCl |
| IUPAC Name | 3-(3-chloro-4-methylphenyl)aniline;hydrochloride |
| InChI | InChI=1S/C13H12ClN.ClH/c1-9-5-6-11(8-13(9)14)10-3-2-4-12(15)7-10;/h2-8H,15H2,1H3;1H |
| InChI Key | CVHYEQPWUVBZQW-UHFFFAOYSA-N |
| MDL Number | MFCD20529483 |
| Molecular Formula | C13H13Cl2N |
| Molecular Weight | 254.1550 |
| SMILES | Nc1cccc(c1)c1ccc(c(c1)Cl)C.Cl |
| Synonyms | 1352318-30-9,
3-(3-Chloro-4-methylphenyl)aniline, HCl,
3-(3-Chloro-4-methylphenyl)aniline hydrochloride,
3-(3-Chloro-4-methylphenyl)aniline HCl,
MFCD20529483,
AKOS026672787,
Z9867,
B-8505,
C13H12ClN.HCl,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.154g/mol |
| Monoisotopic Mass | 253.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number