| CAS Number | 99503-73-8 |
| Catalog Number | AG003DHJ(AGN-PC-0W9GQV) |
| Chemical Name | 1,3-Bis(3-aminophenoxy)-5-chlorobenzene Dihydrochloride |
| IUPAC Name | 3-[3-(3-aminophenoxy)-5-chlorophenoxy]aniline;dihydrochloride |
| InChI | InChI=1S/C18H15ClN2O2.2ClH/c19-12-7-17(22-15-5-1-3-13(20)9-15)11-18(8-12)23-16-6-2-4-14(21)10-16;;/h1-11H,20-21H2;2*1H |
| InChI Key | YZUFDVOYHZOIGU-UHFFFAOYSA-N |
| MDL Number | MFCD14708170 |
| Molecular Formula | C18H17Cl3N2O2 |
| Molecular Weight | 399.6988 |
| SMILES | Cl.Cl.ClC=1C=C(C=C(C1)OC=1C=C(N)C=CC1)OC=1C=C(N)C=CC1 |
| Synonyms | 1,3-Bis(3-aminophenoxy)-5-chlorobenzene Dihydrochloride,
99503-73-8,
ACMC-209scv,
CTK8B2803,
DTXSID90659844,
ANW-41021,
MFCD14708170,
AKOS025401998,
AC-27921,
TC-129766,
B3550,
1,3-Bis(3-aminophenoxy)-5-chlorobenzene diHCl,
3,3'-[(5-Chloro-1,3-phenylene)bis(oxy)]dianiline--hydrogen chloride (1/2),
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.696g/mol |
| Monoisotopic Mass | 398.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.5A^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