| CAS Number | 231953-33-6 |
| Catalog Number | AG002MHA(AGN-PC-0JUYPA) |
| Chemical Name | 1-(4-Aminophenyl)-3-(trifluoromethyl)pyrazole |
| IUPAC Name | 4-[3-(trifluoromethyl)pyrazol-1-yl]aniline |
| InChI | InChI=1S/C10H8F3N3/c11-10(12,13)9-5-6-16(15-9)8-3-1-7(14)2-4-8/h1-6H,14H2 |
| InChI Key | ASHPLDMJLPLKAD-UHFFFAOYSA-N |
| MDL Number | MFCD00115025 |
| Molecular Formula | C10H8F3N3 |
| Molecular Weight | 227.1858 |
| SMILES | NC1=CC=C(N2N=C(C(F)(F)F)C=C2)C=C1 |
| Synonyms | 231953-33-6,
1-(4-Aminophenyl)-3-(trifluoromethyl)pyrazole,
4-[3-(trifluoromethyl)pyrazol-1-yl]aniline,
4-[3-(trifluoromethyl)pyrazolyl]phenylamine,
4-(3-(trifluoromethyl)-1h-pyrazol-1-yl)aniline,
4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]aniline,
AC1LEMKX,
SCHEMBL1354818,
CTK7D7544,
ZINC57697,
MFCD00115025,
SBB000678,
AKOS000318236,
MCULE-9605693919,
ST057511,
K-6391,
Benzenamine, 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-,
CID688686,
ZINC00057697,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.19g/mol |
| Monoisotopic Mass | 227.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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