| CAS Number | 1099597-55-3 |
| Catalog Number | AG01FODO(AGN-PC-0WC0A9) |
| Chemical Name | 1,3-Dichloro-2-(3,3,3-trifluoropropyl)benzene |
| IUPAC Name | 1,3-dichloro-2-(3,3,3-trifluoropropyl)benzene |
| InChI | InChI=1S/C9H7Cl2F3/c10-7-2-1-3-8(11)6(7)4-5-9(12,13)14/h1-3H,4-5H2 |
| InChI Key | XITDEMGBNBNGIE-UHFFFAOYSA-N |
| MDL Number | MFCD11226648 |
| Molecular Formula | C9H7Cl2F3 |
| Molecular Weight | 243.0531 |
| SMILES | C1=CC(=C(C(=C1)Cl)CCC(F)(F)F)Cl |
| Synonyms | 1,3-DICHLORO-2-(3,3,3-TRIFLUOROPROPYL)BENZENE,
1099597-55-3,
CTK7B7120,
BBL100996,
STL554790,
ZINC66330487,
AKOS005255875,
TR-057075,
Y-9974,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.05g/mol |
| Monoisotopic Mass | 241.988g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number