| CAS Number | 1024204-82-7 |
| Catalog Number | AG01DTPS(AGN-PC-0LFX8J) |
| Chemical Name | 2,6-dichloro-N-[(3-chlorophenyl)methyl]aniline |
| IUPAC Name | 2,6-dichloro-N-[(3-chlorophenyl)methyl]aniline |
| InChI | InChI=1S/C13H10Cl3N/c14-10-4-1-3-9(7-10)8-17-13-11(15)5-2-6-12(13)16/h1-7,17H,8H2 |
| InChI Key | MKSHLIYVZAWJAV-UHFFFAOYSA-N |
| MDL Number | MFCD06408078 |
| Molecular Formula | C13H10Cl3N |
| Molecular Weight | 286.5842 |
| SMILES | ClC1=C(NCC2=CC(=CC=C2)Cl)C(=CC=C1)Cl |
| Synonyms | 2,6-dichloro-N-[(3-chlorophenyl)methyl]aniline,
AC1NFPTT,
AKOS014804984,
1024204-82-7,
CID4712068,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.58g/mol |
| Monoisotopic Mass | 284.988g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
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Certificate of Analysis
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