| CAS Number | 25771-77-1 |
| Catalog Number | AG00BI06 |
| Chemical Name | 3,4,8-Trichloroquinoline |
| IUPAC Name | 3,4,8-trichloroquinoline |
| InChI | InChI=1S/C9H4Cl3N/c10-6-3-1-2-5-8(12)7(11)4-13-9(5)6/h1-4H |
| InChI Key | MWSSGTREQLOARH-UHFFFAOYSA-N |
| MDL Number | MFCD13192967 |
| Molecular Formula | C9H4Cl3N |
| Molecular Weight | 232.4938 |
| SMILES | Clc1cnc2c(Cl)cccc2c1Cl |
| Synonyms | 3,4,8-Trichloroquinoline,
25771-77-1,
3,4,8-Trichloro-quinoline,
CTK8F4796,
DTXSID70618434,
MFCD13192967,
AKOS025287480,
CS-0060094,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.488g/mol |
| Monoisotopic Mass | 230.941g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number