| CAS Number | 953735-66-5 |
| Catalog Number | AG019WLN(AGN-PC-0WOBSK) |
| Chemical Name | 8-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 8-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C10H11F2NO/c11-10(12)14-8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5,10,13H,2,4,6H2 |
| InChI Key | HJNVCPDINIURFY-UHFFFAOYSA-N |
| MDL Number | MFCD09727560 |
| Molecular Formula | C10H11F2NO |
| Molecular Weight | 199.1972 |
| SMILES | FC(OC1=C2C(CCCN2)=CC=C1)F |
| Synonyms | 8-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline,
953735-66-5,
AC1Q4KOU,
SCHEMBL10913727,
CTK7B7499,
ZINC22161254,
AKOS000136545,
MCULE-6931301095,
NE14300,
EN300-52344,
Z802671696,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.201g/mol |
| Monoisotopic Mass | 199.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number