3-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]aniline hydrochloride - CAS 1431963-23-3
Catalog: |
BB052549 |
Product Name: |
3-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]aniline hydrochloride |
CAS: |
1431963-23-3 |
Synonyms: |
(3-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl)aminehydrochloride |
IUPAC Name: | 3-fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]aniline;hydrochloride |
Molecular Weight: | 335.73 |
Molecular Formula: | C14H14ClF4N3 |
Canonical SMILES: | C1CCC2=C(C1)C(=NN2C3=C(C=C(C=C3)N)F)C(F)(F)F.Cl |
InChI: | InChI=1S/C14H13F4N3.ClH/c15-10-7-8(19)5-6-12(10)21-11-4-2-1-3-9(11)13(20-21)14(16,17)18;/h5-7H,1-4,19H2;1H |
InChI Key: | MTYHRNOZKGTPGT-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.0812378 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 335.0812378 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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