| CAS Number | 613240-41-8 |
| Catalog Number | AG019X3G(AGN-PC-03N9SS) |
| Chemical Name | 1-{[4-(chloromethyl)phenoxy]methyl}-4-fluorobenzene |
| IUPAC Name | 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene |
| InChI | InChI=1S/C14H12ClFO/c15-9-11-3-7-14(8-4-11)17-10-12-1-5-13(16)6-2-12/h1-8H,9-10H2 |
| InChI Key | HWBDTYKIMZPAJV-UHFFFAOYSA-N |
| MDL Number | MFCD11122343 |
| Molecular Formula | C14H12ClFO |
| Molecular Weight | 250.6959 |
| SMILES | FC1=CC=C(COC2=CC=C(CCl)C=C2)C=C1 |
| Synonyms | 1-[4-(chloromethyl)phenoxymethyl]-4-fluorobenzene,
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene,
613240-41-8,
AC1Q4MG0,
SCHEMBL4836597,
CTK6H6576,
ZINC21508888,
AKOS009224540,
NE22198,
EN300-53953,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.697g/mol |
| Monoisotopic Mass | 250.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number