| CAS Number | 714953-85-2 |
| Catalog Number | AG0066KB(AGN-PC-01A98R) |
| Chemical Name | 1-[Amino-(4-bromo-phenyl)-methyl]-naphthalen-2-ol |
| IUPAC Name | 1-[amino-(4-bromophenyl)methyl]naphthalen-2-ol |
| InChI | InChI=1S/C17H14BrNO/c18-13-8-5-12(6-9-13)17(19)16-14-4-2-1-3-11(14)7-10-15(16)20/h1-10,17,20H,19H2 |
| InChI Key | LHJGZPQOUAARIZ-UHFFFAOYSA-N |
| MDL Number | MFCD09260387 |
| Molecular Formula | C17H14BrNO |
| Molecular Weight | 328.2032 |
| SMILES | Brc1ccc(cc1)C(c1c(O)ccc2c1cccc2)N |
| Synonyms | 1-[Amino-(4-bromo-phenyl)-methyl]-naphthalen-2-ol,
714953-85-2,
CTK5D4349,
DTXSID60588713,
MFCD09260387,
AKOS025295659,
OR307610,
1-(alpha-Amino-4-bromobenzyl)-2-naphthol,
1-[amino(4-bromophenyl)methyl]-2-naphthol,
RT-006505,
T6633,
1-[Amino(4-bromophenyl)methyl]naphthalen-2-ol,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.209g/mol |
| Monoisotopic Mass | 327.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number