| CAS Number | 1214384-22-1 |
| Catalog Number | AG0014YL(AGN-PC-0WD0WQ) |
| Chemical Name | 1-Chloro-3-methyl-5-(trifluoromethyl)benzene |
| IUPAC Name | 1-chloro-3-methyl-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6ClF3/c1-5-2-6(8(10,11)12)4-7(9)3-5/h2-4H,1H3 |
| InChI Key | ZZDQQODCOMDGAW-UHFFFAOYSA-N |
| MDL Number | MFCD13185476 |
| Molecular Formula | C8H6ClF3 |
| Molecular Weight | 194.5814 |
| SMILES | C1C(Cl)=CC(C(F)(F)F)=CC=1C |
| Synonyms | 1-Chloro-3-methyl-5-(trifluoromethyl)benzene,
1214384-22-1,
3-Chloro-5-methylbenzotrifluoride,
SCHEMBL902818,
CTK8C3670,
DTXSID00612662,
3-Chloro-5-(trifluoromethyl)toluene,
3887AA,
ANW-70384,
FCH924010,
ZINC67794493,
AKOS006332954,
FS-5953,
AJ-116998,
AX8241245,
TC-159129,
ST24021293,
Benzene, 1-chloro-3-methyl-5-(trifluoromethyl)-,
C8H6ClF3,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.581g/mol |
| Monoisotopic Mass | 194.011g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number