| CAS Number | 42065-10-1 |
| Catalog Number | AG0039DW(AGN-PC-0WAKAJ) |
| Chemical Name | 2-Chloro-5,6,8-trimethoxyquinoline |
| IUPAC Name | 2-chloro-5,6,8-trimethoxyquinoline |
| InChI | InChI=1S/C12H12ClNO3/c1-15-8-6-9(16-2)12(17-3)7-4-5-10(13)14-11(7)8/h4-6H,1-3H3 |
| InChI Key | GSHDPJKVWVTPDI-UHFFFAOYSA-N |
| MDL Number | MFCD30293171 |
| Molecular Formula | C12H12ClNO3 |
| Molecular Weight | 253.6816 |
| SMILES | ClC1=NC2=C(C=C(C(=C2C=C1)OC)OC)OC |
| Synonyms | 2-chloro-5,6,8-trimethoxyquinoline,
42065-10-1,
Quinoline, 2-chloro-5,6,8-trimethoxy-,
MFCD30293171,
AKOS028113392,
CS-0061941,
bromo-nitro-malonic acid diethyl ester,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.682g/mol |
| Monoisotopic Mass | 253.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number