| CAS Number | 1065073-89-3 |
| Catalog Number | AG003JF7(AGN-PC-0WNPX6) |
| Chemical Name | 3-Fluoro-2-methyl-5-(trifluoromethyl)aniline |
| IUPAC Name | 3-fluoro-2-methyl-5-(trifluoromethyl)aniline |
| InChI | InChI=1S/C8H7F4N/c1-4-6(9)2-5(3-7(4)13)8(10,11)12/h2-3H,13H2,1H3 |
| InChI Key | JYRUHDAZCPLTPT-UHFFFAOYSA-N |
| MDL Number | MFCD11053832 |
| Molecular Formula | C8H7F4N |
| Molecular Weight | 193.1415 |
| SMILES | NC1=CC(C(F)(F)F)=CC(F)=C1C |
| Synonyms | 3-FLUORO-2-METHYL-5-(TRIFLUOROMETHYL)ANILINE,
1065073-89-3,
ACMC-2098jz,
CTK4A4555,
DTXSID40674587,
ANW-15357,
FCH888008,
MFCD11053832,
ZINC38537102,
AKOS006308139,
AJ-95884,
CJ-19360,
AX8229502,
ST2405062,
TR-001263,
Z6852,
A-4363,
I14-25421,
C8H7F4N,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.145g/mol |
| Monoisotopic Mass | 193.051g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number