| CAS Number | 908600-73-7 |
| Catalog Number | AG019ERM(AGN-PC-0WON9U) |
| Chemical Name | 1H-INDOLE-5-CARBOXYLIC ACID,6-FLUORO |
| IUPAC Name | 6-fluoro-1H-indole-5-carboxylic acid |
| InChI | InChI=1S/C9H6FNO2/c10-7-4-8-5(1-2-11-8)3-6(7)9(12)13/h1-4,11H,(H,12,13) |
| InChI Key | MDHOVFSMMFAXIY-UHFFFAOYSA-N |
| MDL Number | MFCD12924426 |
| Molecular Formula | C9H6FNO2 |
| Molecular Weight | 179.1478 |
| SMILES | OC(C1=C(F)C=C2C(C=CN2)=C1)=O |
| Synonyms | 6-fluoro-1H-indole-5-carboxylic Acid,
908600-73-7,
1H-INDOLE-5-CARBOXYLIC ACID,6-FLUORO,
1H-Indole-5-carboxylic acid, 6-fluoro-,
SCHEMBL12616230,
MDHOVFSMMFAXIY-UHFFFAOYSA-N,
MFCD12924426,
AKOS023839234,
ZINC136351718,
DA-01445,
SC-62886,
CS-0060714,
FT-0714460,
CID11492033,
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| 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 |
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Certificate of Analysis
Lot Number