| CAS Number | 1055320-72-3 |
| Catalog Number | AG00996U(AGN-PC-0WAZ49) |
| Chemical Name | 1H-Indole-6-carboxylic acid, 7-chloro- |
| IUPAC Name | 7-chloro-1H-indole-6-carboxylic acid |
| InChI | InChI=1S/C9H6ClNO2/c10-7-6(9(12)13)2-1-5-3-4-11-8(5)7/h1-4,11H,(H,12,13) |
| InChI Key | RWHUWCQJGDUVIZ-UHFFFAOYSA-N |
| MDL Number | MFCD16658588 |
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.6024 |
| SMILES | ClC=1C(=CC=C2C=CNC12)C(=O)O |
| Synonyms | 7-chloro-1H-indole-6-carboxylic acid,
1055320-72-3,
SCHEMBL2285281,
RWHUWCQJGDUVIZ-UHFFFAOYSA-N,
KS-00001Q0S,
ZINC89209098,
AKOS023770517,
FCH1188448,
SB13658,
1h-indole-6-carboxylic acid,7-chloro-,
OR310889,
CS-4150,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.602g/mol |
| Monoisotopic Mass | 195.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number