| CAS Number | 948291-04-1 |
| Catalog Number | AG0067QQ(AGN-PC-01A9JW) |
| Chemical Name | 2-Chloro-3-chloromethyl-6-fluoroquinoline |
| IUPAC Name | 2-chloro-3-(chloromethyl)-6-fluoroquinoline |
| InChI | InChI=1S/C10H6Cl2FN/c11-5-7-3-6-4-8(13)1-2-9(6)14-10(7)12/h1-4H,5H2 |
| InChI Key | FGCUGCAEAHOYBW-UHFFFAOYSA-N |
| MDL Number | MFCD09787659 |
| Molecular Formula | C10H6Cl2FN |
| Molecular Weight | 230.0657 |
| SMILES | ClCc1cc2cc(F)ccc2nc1Cl |
| Synonyms | 2-Chloro-3-chloromethyl-6-fluoroquinoline,
948291-04-1,
2-chloro-3-(chloromethyl)-6-fluoroquinoline,
CTK8E3892,
DTXSID10588980,
MFCD09787659,
ZINC11985087,
AKOS009308029,
AB51925,
AB0107857,
RT-007579,
T6798,
2-Chloro-3-chloromethyl-6-fluoroquinoline, AldrichCPR,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.063g/mol |
| Monoisotopic Mass | 228.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number