| CAS Number | 943109-61-3 |
| Catalog Number | AG019UZG |
| Chemical Name | 1-[(2-Fluorophenyl)methyl]-1H-indole-2-carboxylic acid |
| IUPAC Name | 1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid |
| InChI | InChI=1S/C16H12FNO2/c17-13-7-3-1-6-12(13)10-18-14-8-4-2-5-11(14)9-15(18)16(19)20/h1-9H,10H2,(H,19,20) |
| InChI Key | XYDOYFJXQVZCRB-UHFFFAOYSA-N |
| MDL Number | MFCD11858049 |
| Molecular Formula | C16H12FNO2 |
| Molecular Weight | 269.2704 |
| SMILES | OC(C1N(CC2=C(F)C=CC=C2)C2=C(C=CC=C2)C=1)=O |
| Synonyms | 1-[(2-fluorophenyl)methyl]-1H-indole-2-carboxylic acid,
943109-61-3,
AC1Q73S7,
CTK7C2423,
ZINC9239704,
AKOS000263045,
MCULE-9842507840,
NE15330,
EN300-43303,
Z445226242,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.275g/mol |
| Monoisotopic Mass | 269.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number