| CAS Number | 74483-47-9 |
| Catalog Number | AG00FFY6(AGN-PC-0NJZQB) |
| Chemical Name | 2-Chloro-1-methyl-4-(trifluoromethyl)benzene |
| IUPAC Name | 2-chloro-1-methyl-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6ClF3/c1-5-2-3-6(4-7(5)9)8(10,11)12/h2-4H,1H3 |
| InChI Key | DPBMOEZTWZVXLL-UHFFFAOYSA-N |
| MDL Number | MFCD11226657 |
| Molecular Formula | C8H6ClF3 |
| Molecular Weight | 194.5814 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)C |
| Synonyms | 74483-47-9,
2-chloro-1-methyl-4-(trifluoromethyl)benzene,
3-Chloro-4-methylbenzotrifluoride,
SCHEMBL169007,
CTK8E7416,
2-chloro-4-trifluoromethyltoluene,
DTXSID70507697,
DPBMOEZTWZVXLL-UHFFFAOYSA-N,
2-chloro-4-(trifluoromethyl)toluene,
9095AE,
ZINC66330506,
AKOS005255912,
FS-5113,
AJ-116125,
TR-057094,
FT-0732785,
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