| CAS Number | 383133-62-8 |
| Catalog Number | AG00BYNO(AGN-PC-0LWYMZ) |
| Chemical Name | 4-Chloro-6-fluoro-1H-indole-2-carboxylic acid |
| IUPAC Name | 4-chloro-6-fluoro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H5ClFNO2/c10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14/h1-3,12H,(H,13,14) |
| InChI Key | RDHOUUUIUOTJBC-UHFFFAOYSA-N |
| MDL Number | MFCD02664531 |
| Molecular Formula | C9H5ClFNO2 |
| Molecular Weight | 213.5929 |
| SMILES | Fc1cc(Cl)c2c(c1)[nH]c(c2)C(=O)O |
| Synonyms | 4-chloro-6-fluoro-1H-indole-2-carboxylic Acid,
383133-62-8,
C9H5ClFNO2,
AC1OG86V,
1H-Indole-2-carboxylic acid, 4-chloro-6-fluoro-,
SCHEMBL15515831,
ZINC4237917,
BBL021425,
MFCD02664531,
STK894138,
AKOS005144139,
MCULE-7199636189,
H8268,
V5626,
CID7144648,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.592g/mol |
| Monoisotopic Mass | 212.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number