| CAS Number | 855763-24-5 |
| Catalog Number | AG00525X(AGN-PC-01A9KV) |
| Chemical Name | 4,5,8-Trichloroquinoline |
| IUPAC Name | 4,5,8-trichloroquinoline |
| InChI | InChI=1S/C9H4Cl3N/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H |
| InChI Key | YHGCMJPZRPMARL-UHFFFAOYSA-N |
| MDL Number | MFCD09787693 |
| Molecular Formula | C9H4Cl3N |
| Molecular Weight | 232.4938 |
| SMILES | Clc1ccc(Cl)c2c(Cl)ccnc12 |
| Synonyms | 4,5,8-Trichloroquinoline,
855763-24-5,
CTK8E4659,
DTXSID30589015,
MFCD09787693,
ZINC32099379,
AB52003,
SC-89570,
RT-009018,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number