| CAS Number | 1171507-41-7 |
| Catalog Number | AG019UR3(AGN-PC-06DELG) |
| Chemical Name | 3,5-dichloro-N-[(2-methoxyphenyl)methyl]aniline hydrochloride |
| IUPAC Name | 3,5-dichloro-N-[(2-methoxyphenyl)methyl]aniline;hydrochloride |
| InChI | InChI=1S/C14H13Cl2NO.ClH/c1-18-14-5-3-2-4-10(14)9-17-13-7-11(15)6-12(16)8-13;/h2-8,17H,9H2,1H3;1H |
| InChI Key | RTZCQYFPTVBRNU-UHFFFAOYSA-N |
| MDL Number | MFCD11857921 |
| Molecular Formula | C14H14Cl3NO |
| Molecular Weight | 318.6261 |
| SMILES | Cl.COC1=C(CNC2=CC(Cl)=CC(Cl)=C2)C=CC=C1 |
| Synonyms | 3,5-dichloro-N-[(2-methoxyphenyl)methyl]aniline hydrochloride,
1171507-41-7,
AC1Q3BZA,
CTK7B1100,
AKOS008030823,
MCULE-6402505321,
NE21752,
EN300-42585,
J-003520,
Z432066966,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.622g/mol |
| Monoisotopic Mass | 317.014g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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