| CAS Number | 16381-48-9 |
| Catalog Number | AG00AB7X(AGN-PC-0WBEE9) |
| Chemical Name | 7-Chloro-3-methyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 7-chloro-3-methyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C10H8ClNO2/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 | UJVTZVNZWSRCNL-UHFFFAOYSA-N |
| MDL Number | MFCD07643275 |
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.6290 |
| SMILES | ClC=1C=CC=C2C(=C(NC12)C(=O)O)C |
| Synonyms | 7-Chloro-3-methyl-1H-indole-2-carboxylic acid,
16381-48-9,
7-chloro-3-methylindole-2-carboxylic acid,
BAS 10157215,
AC1O5HHU,
SCHEMBL4076852,
CTK7I5893,
ZINC4384483,
5259AD,
SBB014814,
STK692727,
AKOS000266706,
MCULE-1054054906,
ST064958,
TR-056108,
Z2106608898,
C10H8CLNO2,
CID6484275,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.629g/mol |
| Monoisotopic Mass | 209.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number