3-(Trifluoromethoxy)aniline

• CAS: 1535-73-5
• Catalog Number: ACM1535735
• Category: Alkyl Fluorinated Building Blocks
• Molecular Weight: 177.12
• Molecular Formula: C7H6F3NO
• Synonyms: Benzenamine, 3-(trifluoromethoxy)-
• IUPAC Name: 3-(trifluoromethoxy)aniline
• Canonical SMILES: C1=CC(=CC(=C1)OC(F)(F)F)N
• InChI: InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2
• InChI Key: SADHVOSOZBAAGL-UHFFFAOYSA-N
• Boiling Point: 72-73 ºC 8mmHg (lit.)
• Density: 1.325 g/ml
• Hazard Statements: H302
• RIDADR: UN 2948 6.1 / PGII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-(Trifluoromethoxy)aniline?

The molecular formula of 3-(Trifluoromethoxy)aniline is C7H6F3NO.

When was the structure of 3-(Trifluoromethoxy)aniline created?

The structure of 3-(Trifluoromethoxy)aniline was created on March 27, 2005.

What is the molecular weight of 3-(Trifluoromethoxy)aniline?

The molecular weight of 3-(Trifluoromethoxy)aniline is 177.12 g/mol.

What is the InChIKey of 3-(Trifluoromethoxy)aniline?

The InChIKey of 3-(Trifluoromethoxy)aniline is SADHVOSOZBAAGL-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3-(Trifluoromethoxy)aniline have?

3-(Trifluoromethoxy)aniline has 1 hydrogen bond donor count.

What is the topological polar surface area of 3-(Trifluoromethoxy)aniline?

The topological polar surface area of 3-(Trifluoromethoxy)aniline is 35.2 Ų.

Does 3-(Trifluoromethoxy)aniline have any isotope atom count?

3-(Trifluoromethoxy)aniline has 0 isotope atom count.

How many rotatable bond counts does 3-(Trifluoromethoxy)aniline have?

3-(Trifluoromethoxy)aniline has 1 rotatable bond count.

What is the canonical SMILES of 3-(Trifluoromethoxy)aniline?

The canonical SMILES of 3-(Trifluoromethoxy)aniline is C1=CC(=CC(=C1)OC(F)(F)F)N.

Is 3-(Trifluoromethoxy)aniline a covalently-bonded unit?

Yes, 3-(Trifluoromethoxy)aniline is a covalently-bonded unit.