| CAS Number | 1082766-49-1 |
| Catalog Number | AG0083V3(AGN-PC-0WB5EF) |
| Chemical Name | 7-Chloro-1-methyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 7-chloro-1-methylindole-2-carboxylic acid |
| InChI | InChI=1S/C10H8ClNO2/c1-12-8(10(13)14)5-6-3-2-4-7(11)9(6)12/h2-5H,1H3,(H,13,14) |
| InChI Key | COSBSGFCSJQBSG-UHFFFAOYSA-N |
| MDL Number | MFCD11505335 |
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.6290 |
| SMILES | O=C(C(N1C)=CC2=C1C(Cl)=CC=C2)O |
| Synonyms | 7-chloro-1-methyl-1H-indole-2-carboxylic acid,
1082766-49-1,
SCHEMBL5600801,
CTK4A5950,
DTXSID60649237,
ALBB-005039,
ZX-AN004980,
ZX-CM007940,
8471AC,
FCH933431,
MFCD11505335,
STK501557,
ZINC21953391,
AKOS005171418,
AJ-78771,
7-chloro-1-methylindole-2-carboxylic acid,
TR-058564,
Y-6782,
C10H8CLNO2,
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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 | 209.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.629g/mol |
| Monoisotopic Mass | 209.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number