| CAS Number | 1269802-97-2 |
| Catalog Number | AG00A1GC(AGN-PC-0WG4YB) |
| Chemical Name | NHI 2 |
| IUPAC Name | methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylate |
| InChI | InChI=1S/C17H12F3NO3/c1-24-16(22)15-9-12-13(17(18,19)20)7-11(8-14(12)21(15)23)10-5-3-2-4-6-10/h2-9,23H,1H3 |
| InChI Key | YPPFWRWCZNXINO-UHFFFAOYSA-N |
| MDL Number | MFCD20264847 |
| Molecular Formula | C17H12F3NO3 |
| Molecular Weight | 335.2773 |
| SMILES | ON1C(C(OC)=O)=CC(C1=C2)=C(C(F)(F)F)C=C2C3=CC=CC=C3 |
| Synonyms | methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)-1H-indole-2-carboxylate,
NHI 2,
CHEMBL3335796,
1269802-97-2,
Methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)-1H-indole-2-carboxylate,
YPPFWRWCZNXINO-UHFFFAOYSA-N,
SCHEMBL15070120,
BDBM50103570,
AKOS025147354,
ZINC146883754,
NHI-2, >=98% (HPLC),
NCGC00387483-01,
1-Hydroxy-4-(trifluoromethyl)-6-phenyl-1H-indole-2-carboxylic acid methyl ester,
|
| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.282g/mol |
| Monoisotopic Mass | 335.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number