| CAS Number | 70338-45-3 |
| Catalog Number | AG00FD3K(AGN-PC-0WB6SH) |
| Chemical Name | 4-Isopropoxy-3-(trifluoromethyl)aniline |
| IUPAC Name | 4-propan-2-yloxy-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C10H12F3NO/c1-6(2)15-9-4-3-7(14)5-8(9)10(11,12)13/h3-6H,14H2,1-2H3 |
| InChI Key | SQZVIBGPQPZUCA-UHFFFAOYSA-N |
| MDL Number | MFCD11053900 |
| Molecular Formula | C10H12F3NO |
| Molecular Weight | 219.2036 |
| SMILES | NC1=CC=C(OC(C)C)C(C(F)(F)F)=C1 |
| Synonyms | 4-Isopropoxy-3-(trifluoromethyl)aniline,
70338-45-3,
SCHEMBL11338379,
SQZVIBGPQPZUCA-UHFFFAOYSA-N,
ZINC8702480,
ZX-CM013028,
STL411938,
AKOS000101529,
MCULE-2083100481,
AJ-58598,
4-(propan-2-yloxy)-3-(trifluoromethyl)aniline,
Y-6499,
4-isopropoxy-3-(trifluoromethyl)aniline(SALTDATA,
A1-03305,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.207g/mol |
| Monoisotopic Mass | 219.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number