| CAS Number | 100191-28-4 |
| Catalog Number | AG01EB0V(AGN-PC-04PZZQ) |
| Chemical Name | 4-Chloro-3-nitrobenzenethiol |
| IUPAC Name | 4-chloro-3-nitrobenzenethiol |
| InChI | InChI=1S/C6H4ClNO2S/c7-5-2-1-4(11)3-6(5)8(9)10/h1-3,11H |
| InChI Key | IAYMABJPMMKXFR-UHFFFAOYSA-N |
| MDL Number | MFCD03428541 |
| Molecular Formula | C6H4ClNO2S |
| Molecular Weight | 189.6195 |
| SMILES | [O-][N+](=O)C1=C(Cl)C=CC(S)=C1 |
| Synonyms | 4-chloro-3-nitrobenzenethiol,
100191-28-4,
4-chloro-3-nitrothiophenol,
SCHEMBL4298089,
4-chloro-3-nitrobenzene-1-thiol,
IAYMABJPMMKXFR-UHFFFAOYSA-N,
4-chloro-3-nitrophenyl hydrosulfide,
ALBB-013780,
ZINC2586004,
ZX-AN012535,
FCH847882,
MFCD03428541,
AKOS006278108,
MCULE-6660693161,
R7707,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.613g/mol |
| Monoisotopic Mass | 188.965g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number