| CAS Number | 1404491-66-2 |
| Catalog Number | AG009YW9(AGN-PC-0WQVNW) |
| Chemical Name | 5-Chloro-2-(3,5-diMethyl-phenyl)-quinoline |
| IUPAC Name | 5-chloro-2-(3,5-dimethylphenyl)quinoline |
| InChI | InChI=1S/C17H14ClN/c1-11-8-12(2)10-13(9-11)16-7-6-14-15(18)4-3-5-17(14)19-16/h3-10H,1-2H3 |
| InChI Key | UPTBVSYIBDKSED-UHFFFAOYSA-N |
| MDL Number | MFCD28991982 |
| Molecular Formula | C17H14ClN |
| Molecular Weight | 267.7528 |
| SMILES | ClC1=C2C=CC(=NC2=CC=C1)C1=CC(=CC(=C1)C)C |
| Synonyms | 5-chloro-2-(3,5-dimethylphenyl)quinoline,
1404491-66-2,
SCHEMBL10318960,
UPTBVSYIBDKSED-UHFFFAOYSA-N,
MFCD28991982,
ZINC142895685,
CS-0036638,
5-Chloro-2-(3,5-diMethyl-phenyl)-quinoline,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.756g/mol |
| Monoisotopic Mass | 267.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
Lot Number