| CAS Number | 247564-67-6 |
| Catalog Number | AG01AJ9K(AGN-PC-0WO3FK) |
| Chemical Name | 4,7-Difluoro-1H-indole-2-carboxylic acid |
| IUPAC Name | 4,7-difluoro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H5F2NO2/c10-5-1-2-6(11)8-4(5)3-7(12-8)9(13)14/h1-3,12H,(H,13,14) |
| InChI Key | OIJKDNJQZYVNGD-UHFFFAOYSA-N |
| MDL Number | MFCD01863159 |
| Molecular Formula | C9H5F2NO2 |
| Molecular Weight | 197.1383 |
| SMILES | O=C(C(N1)=CC2=C1C(F)=CC=C2F)O |
| Synonyms | 4,7-difluoro-1H-indole-2-carboxylic acid,
247564-67-6,
ZINC37233130,
AKOS009462307,
MCULE-3519477293,
NE49365,
EN300-80128,
Z1259340013,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.141g/mol |
| Monoisotopic Mass | 197.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number