| CAS Number | 167631-51-8 |
| Catalog Number | AG00JB2A(AGN-PC-0WO8NS) |
| Chemical Name | 3,5-Dichloro-1h-indole-2-carboxylic acid |
| IUPAC Name | 3,5-dichloro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H5Cl2NO2/c10-4-1-2-6-5(3-4)7(11)8(12-6)9(13)14/h1-3,12H,(H,13,14) |
| InChI Key | ZCIAFCCXZJTKSS-UHFFFAOYSA-N |
| MDL Number | MFCD11052577 |
| Molecular Formula | C9H5Cl2NO2 |
| Molecular Weight | 230.0475 |
| SMILES | OC(C1=C(Cl)C2=C(C=CC(=C2)Cl)N1)=O |
| Synonyms | 3,5-dichloro-1H-indole-2-carboxylic acid,
167631-51-8,
3,5-dichloroindole-2-carboxylic acid,
SCHEMBL6921821,
CTK6H1872,
ZCIAFCCXZJTKSS-UHFFFAOYSA-N,
AC1Q7294,
SBB019444,
STK695515,
ZINC19770076,
AKOS005606261,
MCULE-4204105572,
NE22376,
ST4148069,
EN300-36969,
AB00996610-01,
Z381357606,
|
| 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