4-Bromo-6-(trifluoromethyl)-1H-indazole

HCID 24729232

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Basic information

CAS: 1000342-95-9
Standard SMILES: FC(F)(F)c1cc(Br)c2cn[nH]c2c1
InChIKey: JRUCLQINUHVRJW-UHFFFAOYSA-N
Molecular formula: C8H4BrF3N2
Average molar mass: 265.03 g/mol
Monoisotopic mass: 263.95099489

Names & identifiers

Preferred name: 4-Bromo-6-(trifluoromethyl)-1H-indazole
IUPAC: 4-bromo-6-(trifluoromethyl)-1H-indazole
English name: 6-(Trifluoromethyl)-4-bromo indazole
Molecular formula: C8H4BrF3N2
Molecular weight: 265.03

Names & synonyms

4-Bromo-6-(trifluoromethyl)-1H-indazole1000342-95-9DTXSID40646643RefChem:1070411DTXCID505973944-Bromo-6-trifluoromethyl-indazole4-Bromo-6-trifluoromethyl-1H-indazoleMFCD090269561H-Indazole, 4-bromo-6-(trifluoromethyl)-SCHEMBL147233826-(Trifluoromethyl)-4-bromo indazoleAMY7350

Show more names

4-Bromo-6-(trifluoromethyl)4-bromo-6-(trifluoromethyl)-2H-indazole1H-Indazole,4-broMo-6-(trifluoroMethyl)-

DTXSID4064664SCHEMBL30602766AKOS016008810CS-W005309DS-4611SB16359SY029273DB-058242

Database identifiers

CAS: 1000342-95-9
PubChem CID: 24729232
DTXSID: DTXSID40646643

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 221

Physicochemical properties

Boiling point: 309.2 · 309.2±37.0 °C(Predicted)
Density: 1.83 · 1.830±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 10.94 · 10.94±0.40(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C8H4BrF3N2/c9-6-1-4(8(10,11)12)2-7-5(6)3-13-14-7/h1-3H,(H,13,14)
InChIKey: JRUCLQINUHVRJW-UHFFFAOYSA-N
SMILES: N1C2=C(C(Br)=CC(C(F)(F)F)=C2)C=N1