4-methyl-3-(trifluoromethyl)aniline hydrochloride - CAS 1845696-01-6
Catalog: |
BB072849 |
Product Name: |
4-methyl-3-(trifluoromethyl)aniline hydrochloride |
CAS: |
1845696-01-6 |
Synonyms: |
4-METHYL-3-(TRIFLUOROMETHYL)ANILINE HYDROCHLORIDE; 4-Methyl-3-(trifluoromethyl)aniline; hydrochloride; 4-METHYL-3-(TRIFLUOROMETHYL)ANILINEHYDROCHLORIDE |
IUPAC Name: | 4-methyl-3-(trifluoromethyl)anilinehydrochloride |
Description: | 4-methyl-3-(trifluoromethyl)aniline hydrochloride |
Molecular Weight: | 211.61 |
Molecular Formula: | C8H9ClF3N |
Canonical SMILES: | CC1=C(C=C(C=C1)N)C(F)(F)F.Cl |
InChI: | InChI=1S/C8H8F3N.ClH/c1-5-2-3-6(12)4-7(5)8(9,10)11/h2-4H,12H2,1H31H |
InChI Key: | HRNHAEBMBLWGAY-UHFFFAOYSA-N |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0375615 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0375615 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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