| CAS Number | 341008-38-6 |
| Catalog Number | AG01DTQD(AGN-PC-0JYNKK) |
| Chemical Name | 2,6-dichloro-N-[(4-chlorophenyl)methyl]aniline |
| IUPAC Name | 2,6-dichloro-N-[(4-chlorophenyl)methyl]aniline |
| InChI | InChI=1S/C13H10Cl3N/c14-10-6-4-9(5-7-10)8-17-13-11(15)2-1-3-12(13)16/h1-7,17H,8H2 |
| InChI Key | MJWBTZKDFKVFEM-UHFFFAOYSA-N |
| MDL Number | MFCD01427005 |
| Molecular Formula | C13H10Cl3N |
| Molecular Weight | 286.5842 |
| SMILES | ClC1=C(NCC2=CC=C(C=C2)Cl)C(=CC=C1)Cl |
| Synonyms | 2,6-dichloro-N-[(4-chlorophenyl)methyl]aniline,
AC1LIYGA,
Oprea1_600992,
AKOS008968254,
341008-38-6,
CID964772,
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| Complexity | 219 |
| 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
Lot Number