| CAS Number | 916825-05-3 |
| Catalog Number | AG006EG8(AGN-PC-0WR1RI) |
| Chemical Name | 1-a-Amino(2-hydroxyphenyl)methyl-2-naphthol trifluoroacetate |
| IUPAC Name | 1-[amino-(2-hydroxyphenyl)methyl]naphthalen-2-ol;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C17H15NO2.C2HF3O2/c18-17(13-7-3-4-8-14(13)19)16-12-6-2-1-5-11(12)9-10-15(16)20;3-2(4,5)1(6)7/h1-10,17,19-20H,18H2;(H,6,7) |
| InChI Key | MXXWJBQRZWXDQY-UHFFFAOYSA-N |
| MDL Number | MFCD09881437 |
| Molecular Formula | C19H16F3NO4 |
| Molecular Weight | 379.3298 |
| SMILES | OC(=O)C(F)(F)F.Oc1ccccc1C(c1c(O)ccc2c1cccc2)N |
| Synonyms | 1-a-Amino(2-hydroxyphenyl)methyl-2-naphthol trifluoroacetate,
916825-05-3,
CTK8F0623,
DTXSID50656551,
MFCD09881437,
PC404508,
RT-006149,
T6740,
Trifluoroacetic acid--1-[amino(2-hydroxyphenyl)methyl]naphthalen-2-ol (1/1),
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.335g/mol |
| Monoisotopic Mass | 379.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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