| CAS Number | 908600-72-6 |
| Catalog Number | AG00IGBD(AGN-PC-0WCYT3) |
| Chemical Name | 4-Fluoro-1H-indole-5-carboxylic acid |
| IUPAC Name | 4-fluoro-1H-indole-5-carboxylic acid |
| InChI | InChI=1S/C9H6FNO2/c10-8-5-3-4-11-7(5)2-1-6(8)9(12)13/h1-4,11H,(H,12,13) |
| InChI Key | ZXISWOXQFGXSET-UHFFFAOYSA-N |
| MDL Number | MFCD12924428 |
| Molecular Formula | C9H6FNO2 |
| Molecular Weight | 179.1478 |
| SMILES | O=C(C1=C(F)C2=C(NC=C2)C=C1)O |
| Synonyms | 4-fluoro-1H-indole-5-carboxylic Acid,
908600-72-6,
1H-Indole-5-carboxylic acid, 4-fluoro-,
ZINC35923596,
FCH1179800,
1h-indole-5-carboxylic acid,4-fluoro-,
SC-61876,
AX8310291,
1H-INDOLE-5-CARBOXYLIC ACID,4-FLUORO,
CID11608020,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.15g/mol |
| Monoisotopic Mass | 179.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number