| CAS Number | 50371-51-2 |
| Catalog Number | AG006U7I(AGN-PC-00UXJA) |
| Chemical Name | 2,2,2-trichloro-1-(4,5-dichloro-1H-pyrrol-2-yl)ethanone |
| IUPAC Name | 2,2,2-trichloro-1-(4,5-dichloro-1H-pyrrol-2-yl)ethanone |
| InChI | InChI=1S/C6H2Cl5NO/c7-2-1-3(12-5(2)8)4(13)6(9,10)11/h1,12H |
| InChI Key | DEHSTKSFGUBTLB-UHFFFAOYSA-N |
| MDL Number | MFCD08691219 |
| Molecular Formula | C6H2Cl5NO |
| Molecular Weight | 281.3512 |
| SMILES | ClC1=C(Cl)NC(C(C(Cl)(Cl)Cl)=O)=C1 |
| Synonyms | 50371-51-2,
2,2,2-trichloro-1-(4,5-dichloro-1H-pyrrol-2-yl)ethanone,
2,2,2-trichloro-1-(4,5-dichloro-1H-pyrrol-2-yl)ethan-1-one,
AC1Q3HNU,
SCHEMBL1518470,
CTK4J2526,
DTXSID20585420,
ZINC10021502,
AKOS026728040,
MCULE-1170241703,
NE58395,
2,3-Dichloro-5-(trichloroacetyl)-1H-pyrrole,
EN300-26126,
Z220616922,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.855g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.338g/mol |
| Monoisotopic Mass | 278.858g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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