| CAS Number | 1099597-97-3 |
| Catalog Number | AG01FEAW(AGN-PC-0WBZKJ) |
| Chemical Name | 2-Chloro-3-fluorobenzotrifluoride |
| IUPAC Name | 2-chloro-1-fluoro-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H3ClF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H |
| InChI Key | JWVLYCBMEWUAIX-UHFFFAOYSA-N |
| MDL Number | MFCD11100537 |
| Molecular Formula | C7H3ClF4 |
| Molecular Weight | 198.5453 |
| SMILES | Fc1cccc(c1Cl)C(F)(F)F |
| Synonyms | 2-Chloro-3-fluorobenzotrifluoride,
2-chloro-1-fluoro-3-(trifluoromethyl)benzene,
109957-97-3,
1099597-97-3,
SCHEMBL9316934,
CTK8E9247,
DTXSID50597490,
BBL100863,
FCH888181,
STL554657,
ZINC66329352,
AKOS005255479,
PC51197,
TR-055128,
FT-0721701,
X-3970,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.545g/mol |
| Monoisotopic Mass | 197.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number