| CAS Number | 893731-12-9 |
| Catalog Number | AG00IFNQ(AGN-PC-0WBKU6) |
| Chemical Name | 6-Fluoro-1-methyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 6-fluoro-1-methylindole-2-carboxylic acid |
| InChI | InChI=1S/C10H8FNO2/c1-12-8-5-7(11)3-2-6(8)4-9(12)10(13)14/h2-5H,1H3,(H,13,14) |
| InChI Key | RRLIRGDFAHPXSB-UHFFFAOYSA-N |
| MDL Number | MFCD07364602 |
| Molecular Formula | C10H8FNO2 |
| Molecular Weight | 193.1744 |
| SMILES | Fc1ccc2c(c1)n(C)c(c2)C(=O)O |
| Synonyms | 6-Fluoro-1-methyl-1H-indole-2-carboxylic acid,
893731-12-9,
6-fluoro-1-methylindole-2-carboxylic acid,
AC1NGOX2,
SCHEMBL5744064,
KS-00000LU3,
ZINC8417044,
MFCD07364602,
AKOS004119394,
SB15314,
AK431209,
DS-18761,
CS-0061758,
CID4777738,
6-fluoro-1-methyl-indole-2-carboxylic Acid,
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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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.177g/mol |
| Monoisotopic Mass | 193.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number