| CAS Number | 1803581-85-2 |
| Catalog Number | AG01B7OV |
| Chemical Name | 4-Bromo-3-chloro-n-(pyridin-4-ylmethyl)aniline hydrochloride |
| IUPAC Name | 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)aniline;hydrochloride |
| InChI | InChI=1S/C12H10BrClN2.ClH/c13-11-2-1-10(7-12(11)14)16-8-9-3-5-15-6-4-9;/h1-7,16H,8H2;1H |
| InChI Key | GPJIYLWEHZXPKN-UHFFFAOYSA-N |
| MDL Number | MFCD28145522 |
| Molecular Formula | C12H11BrCl2N2 |
| Molecular Weight | 334.0391 |
| SMILES | Cl.ClC1=C(Br)C=CC(NCC2=CC=NC=C2)=C1 |
| Synonyms | 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)aniline hydrochloride,
1803581-85-2,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.038g/mol |
| Monoisotopic Mass | 331.948g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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