| CAS Number | 1156390-49-6 |
| Catalog Number | AG008Z45(AGN-PC-06M2EW) |
| Chemical Name | 6-Chloro-2-oxoindoline-5-carboxylic acid |
| IUPAC Name | 6-chloro-2-oxo-1,3-dihydroindole-5-carboxylic acid |
| InChI | InChI=1S/C9H6ClNO3/c10-6-3-7-4(2-8(12)11-7)1-5(6)9(13)14/h1,3H,2H2,(H,11,12)(H,13,14) |
| InChI Key | GALGGHJFGWMWCN-UHFFFAOYSA-N |
| MDL Number | MFCD12174764 |
| Molecular Formula | C9H6ClNO3 |
| Molecular Weight | 211.6018 |
| SMILES | O=C(C1=CC2=C(NC(C2)=O)C=C1Cl)O |
| Synonyms | 6-Chloro-2-oxoindoline-5-carboxylic acid,
1156390-49-6,
6-chloro-2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid,
SCHEMBL2720180,
MFCD12174764,
ZINC35359319,
AKOS009493140,
MCULE-5100506237,
NE57484,
SB18289,
AK668285,
BS-13971,
X7186,
EN300-93183,
6-chloro-2-oxo-1,3-dihydroindole-5-carboxylic acid,
Z1267881617,
C9H6ClNO3,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.601g/mol |
| Monoisotopic Mass | 211.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number