HuagongsheHuagongshe Chemistry Print Report · For research reference only
1H-Indole-3-carboxylic acid, 2-chloro-
RARECHEM AL BE 1014 · 2-Chloro-indole-3-carboxylic acid · 2-chloro-1h-indole-3-carboxylicaci · 3-anilino-1-pyrrolidinecarboxamide · Indole-3-carboxylic acid, 2-chloro- · 2-Chloro-1H-indole-3-carboxylic acid · 1H-Indole-3-carboxylic acid, 2-chloro-
Identifiers & Physical Properties
| CAS No. | 54778-20-0 |
|---|---|
| Molecular formula | C9H6ClNO2 |
| Average molar mass | 195.6 g/mol |
| Monoisotopic mass | 195.00870611 g/mol |
| SMILES | O=C(O)c1c(Cl)[nH]c2ccccc12 |
| InChIKey | SXIIAHIAZAMFPW-UHFFFAOYSA-N |
| PubChem CID | 99521 |
| ChEMBL | CHEMBL3277790 |
| DTXSID | DTXSID50203246 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 53.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 222 |
| Storage conditions | 2-8°C |
| Appearance | Light brown to brown Solid |
| EWG's Food Scores | 1 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H317 |
| GHS precautionary statements | P280 |
| Customs code | 2933998090 |
Safety & Regulations
| Customs code | 2933998090 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H317 |
| GHS precautionary statements | P280 |
Applications & Uses
Uses
2-Chloro-1H-indole-3-carboxylic Acid is used in preparation of Heterocyclic compounds as Nampt inhibitors.