| CAS Number | 80245-27-8 |
| Catalog Number | AG00G40K(AGN-PC-00EEVU) |
| Chemical Name | 1-Chloro-4-methyl-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-chloro-4-methyl-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6ClF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3 |
| InChI Key | CMXLWMLABMJODV-UHFFFAOYSA-N |
| MDL Number | MFCD00035988 |
| Molecular Formula | C8H6ClF3 |
| Molecular Weight | 194.5814 |
| SMILES | c1cc(c(cc1C)C(F)(F)F)Cl |
| Synonyms | 2-Chloro-5-methylbenzotrifluoride,
1-chloro-4-methyl-2-(trifluoromethyl)benzene,
80245-27-8,
PubChem4847,
SCHEMBL167133,
DTXSID90470798,
ZINC2243599,
ZX-AP005453,
FCH920109,
MFCD00035988,
PC2814,
SBB091799,
AKOS006345691,
FS-6320,
AJ-34360,
SC-08785,
AX8258065,
FT-0691005,
2-Chloro-4-methylbenzotrifluoride,
CID11701195,
74483-46-8,
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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