| CAS Number | 52200-53-0 |
| Catalog Number | AG00I9C7(AGN-PC-0WBRQ5) |
| Chemical Name | 6-Chloro-8-fluoroquinoline |
| IUPAC Name | 6-chloro-8-fluoroquinoline |
| InChI | InChI=1S/C9H5ClFN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H |
| InChI Key | VRDHJZRIMIKGRW-UHFFFAOYSA-N |
| MDL Number | MFCD16658595 |
| Molecular Formula | C9H5ClFN |
| Molecular Weight | 181.5941 |
| SMILES | FC1=C2C(C=CC=N2)=CC(Cl)=C1 |
| Synonyms | 6-chloro-8-fluoroquinoline,
52200-53-0,
SCHEMBL1148265,
VRDHJZRIMIKGRW-UHFFFAOYSA-N,
6-Chloro-8-fluoroquinoline, 95%,
4865AE,
BBL102627,
STL556430,
ZINC95704726,
AKOS016015956,
Y-9881,
C9H5ClFN,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.594g/mol |
| Monoisotopic Mass | 181.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number