| CAS Number | 866211-12-3 |
| Catalog Number | AG008FIB(AGN-PC-0WB5F8) |
| Chemical Name | 7-Fluoro-3-methyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 7-fluoro-3-methyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C10H8FNO2/c1-5-6-3-2-4-7(11)9(6)12-8(5)10(13)14/h2-4,12H,1H3,(H,13,14) |
| InChI Key | ZKAOBZOWRSGANW-UHFFFAOYSA-N |
| MDL Number | MFCD11505327 |
| Molecular Formula | C10H8FNO2 |
| Molecular Weight | 193.1744 |
| SMILES | C1(C(O)=O)=C(C)C2C(=C(C=CC=2)F)N1 |
| Synonyms | 7-FLUORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID,
866211-12-3,
SCHEMBL4090402,
CTK5F7027,
DTXSID80652006,
ZKAOBZOWRSGANW-UHFFFAOYSA-N,
ALBB-031493,
ZX-CM007815,
FCH890864,
MFCD11505327,
ZINC21953359,
AKOS006324163,
AJ-78761,
Y-6774,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.177g/mol |
| Monoisotopic Mass | 193.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number