| CAS Number | 64583-39-7 |
| Catalog Number | AG01ELUQ(AGN-PC-03EMDR) |
| Chemical Name | 1-[chloro(4-chlorophenyl)methyl]-4-fluorobenzene |
| IUPAC Name | 1-chloro-4-[chloro-(4-fluorophenyl)methyl]benzene |
| InChI | InChI=1S/C13H9Cl2F/c14-11-5-1-9(2-6-11)13(15)10-3-7-12(16)8-4-10/h1-8,13H |
| InChI Key | QTAHMFOVBVDJRU-UHFFFAOYSA-N |
| MDL Number | MFCD18353106 |
| Molecular Formula | C13H9Cl2F |
| Molecular Weight | 255.1150 |
| SMILES | FC1=CC=C(C(C2=CC=C(Cl)C=C2)Cl)C=C1 |
| Synonyms | SCHEMBL10639836,
QTAHMFOVBVDJRU-UHFFFAOYSA-N,
AKOS012736389,
64583-39-7,
(p-chlorophenyl) (p-fluorophenyl)methyl chloride,
1-[chloro(4-chlorophenyl)methyl]-4-fluorobenzene,
1-chloro-4-(chloro(4-fluorophenyl)methyl)benzene,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.113g/mol |
| Monoisotopic Mass | 254.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
Lot Number