| CAS Number | 937598-86-2 |
| Catalog Number | AG01C2T6 |
| Chemical Name | {2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methanamine |
| IUPAC Name | [2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanamine |
| InChI | InChI=1S/C15H15BrClNO2/c1-19-14-6-11(8-18)12(16)7-15(14)20-9-10-4-2-3-5-13(10)17/h2-7H,8-9,18H2,1H3 |
| InChI Key | HTGOJZLGNUBGCW-UHFFFAOYSA-N |
| MDL Number | MFCD08557254 |
| Molecular Formula | C15H15BrClNO2 |
| Molecular Weight | 356.6421 |
| SMILES | BrC1=C(C=C(C(=C1)OCC1=C(C=CC=C1)Cl)OC)CN |
| Synonyms | {2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methanamine,
1-{2-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}methanamine,
937598-86-2,
[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanamine,
AC1MGN5V,
CTK6J7945,
ZINC4855840,
STK400027,
AKOS000313811,
MCULE-7922514288,
CID2988667,
[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methanamine,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.644g/mol |
| Monoisotopic Mass | 354.997g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number