| CAS Number | 89634-77-5 |
| Catalog Number | AG003W8X(AGN-PC-00NA6P) |
| Chemical Name | Benzene, 1,4-dichloro-2-fluoro-5-(trifluoromethyl)- |
| IUPAC Name | 1,4-dichloro-2-fluoro-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2Cl2F4/c8-4-2-6(10)5(9)1-3(4)7(11,12)13/h1-2H |
| InChI Key | DXXZFKXKWLVECJ-UHFFFAOYSA-N |
| MDL Number | MFCD10465426 |
| Molecular Formula | C7H2Cl2F4 |
| Molecular Weight | 232.9904 |
| SMILES | Clc1cc(c(cc1F)Cl)C(F)(F)F |
| Synonyms | 1,4-dichloro-2-fluoro-5-(trifluoromethyl)benzene,
89634-77-5,
J-503985,
Benzene, 1,4-dichloro-2-fluoro-5-(trifluoromethyl)-,
ACMC-20lojg,
SCHEMBL8462010,
CTK2J2877,
DTXSID40544918,
ZINC49952243,
FCH1323403,
MCULE-8854766182,
RP28045,
ST50408427,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.987g/mol |
| Monoisotopic Mass | 231.947g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number