| CAS Number | 111952-54-6 |
| Catalog Number | AG01DUZF(AGN-PC-0KNX9D) |
| Chemical Name | 1-(3-Chloropropoxy)-2-fluorobenzene |
| EC Number | 275-802-9 |
| IUPAC Name | 1-(3-chloropropoxy)-2-fluorobenzene |
| InChI | InChI=1S/C9H10ClFO/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-2,4-5H,3,6-7H2 |
| InChI Key | KNJPVCXGHKZYQE-UHFFFAOYSA-N |
| MDL Number | MFCD09734161 |
| Molecular Formula | C9H10ClFO |
| Molecular Weight | 188.6265 |
| SMILES | FC1=C(OCCCCl)C=CC=C1 |
| Synonyms | 1-(3-chloropropoxy)-2-fluorobenzene,
111952-54-6,
71662-36-7,
(3-Chloropropoxy)fluorobenzene,
AC1MI665,
SCHEMBL5659994,
CTK5D4817,
KNJPVCXGHKZYQE-UHFFFAOYSA-N,
3-(2-fluorophenoxy)-propyl chloride,
ZINC22210088,
2-(3-chloropropoxy)-1-fluorobenzene,
AKOS000145003,
Benzene,(3-chloropropoxy)fluoro- (9CI),
FLUOROBENZENE,
C9-H10-Cl-F-O,
EINECS 275-802-9,
CID3018222,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.626g/mol |
| Monoisotopic Mass | 188.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number