| CAS Number | 1214383-34-2 |
| Catalog Number | AG019CHA(AGN-PC-0WBRPA) |
| Chemical Name | 1-Chloro-2-(difluoromethyl)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-chloro-2-(difluoromethyl)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H4ClF5/c9-6-2-1-4(8(12,13)14)3-5(6)7(10)11/h1-3,7H |
| InChI Key | LOJJRQOHAPHBJX-UHFFFAOYSA-N |
| MDL Number | MFCD14698551 |
| Molecular Formula | C8H4ClF5 |
| Molecular Weight | 230.5624 |
| SMILES | C1(Cl)C=CC(C(F)(F)F)=CC=1C(F)F |
| Synonyms | 1-chloro-2-(difluoromethyl)-4-(trifluoromethyl)benzene,
1214383-34-2,
1-Chloro-2-(difluoromethyl)-4-(trifluoromethyl) benzene,
SCHEMBL1508481,
CTK7B6530,
1179AD,
BBL101379,
STL555175,
ZINC66323216,
AKOS005258300,
AJ-115958,
TR-071179,
C8H4ClF5,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.562g/mol |
| Monoisotopic Mass | 229.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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