| CAS Number | 1017429-39-8 |
| Catalog Number | AG0005DU(AGN-PC-04GH10) |
| Chemical Name | 3-QUINOLINEMETHANOL, 2-CHLORO-8-ETHYL- |
| IUPAC Name | (2-chloro-8-ethylquinolin-3-yl)methanol |
| InChI | InChI=1S/C12H12ClNO/c1-2-8-4-3-5-9-6-10(7-15)12(13)14-11(8)9/h3-6,15H,2,7H2,1H3 |
| InChI Key | QRABYCMGNNSUCD-UHFFFAOYSA-N |
| MDL Number | MFCD09998024 |
| Molecular Formula | C12H12ClNO |
| Molecular Weight | 221.6828 |
| SMILES | ClC1=NC2=C(C=CC=C2C=C1CO)CC |
| Synonyms | 2-Chloro-8-ethylquinoline-3-methanol,
1017429-39-8,
(2-chloro-8-ethylquinolin-3-yl)methanol,
CTK8E3986,
PKCBB_01106,
DTXSID20640649,
MFCD09998024,
ZINC11727623,
3-Quinolinemethanol, 2-chloro-8-ethyl-,
OR309267,
RT-016640,
T6110,
2-Chloro-8-ethylquinoline-3-methanol, AldrichCPR,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.684g/mol |
| Monoisotopic Mass | 221.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.1A^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