| CAS Number | 186392-94-9 |
| Catalog Number | AG00ARX9(AGN-PC-03N3AF) |
| Chemical Name | 5,6-Dichloro-1H-Indole-2-Carboxylic Acid |
| IUPAC Name | 5,6-dichloro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H5Cl2NO2/c10-5-1-4-2-8(9(13)14)12-7(4)3-6(5)11/h1-3,12H,(H,13,14) |
| InChI Key | PITVZRMNFBGRFW-UHFFFAOYSA-N |
| MDL Number | MFCD09802223 |
| Molecular Formula | C9H5Cl2NO2 |
| Molecular Weight | 230.0475 |
| SMILES | OC(C1NC2=C(C=C(C(=C2)Cl)Cl)C=1)=O |
| Synonyms | 5,6-dichloro-1H-indole-2-carboxylic acid,
186392-94-9,
AC1Q73T8,
SCHEMBL3641952,
CTK6G7201,
PITVZRMNFBGRFW-UHFFFAOYSA-N,
ZINC12506048,
AKOS009181540,
MCULE-8062155568,
NE58635,
FT-0706847,
EN300-36128,
J-011964,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.044g/mol |
| Monoisotopic Mass | 228.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number