What is the molecular formula of 4-Bromobenzotrifluoride?

The molecular formula of 4-Bromobenzotrifluoride is C7H4BrF3.

What is the molecular weight of 4-Bromobenzotrifluoride?

The molecular weight of 4-Bromobenzotrifluoride is 225.01 g/mol.

What is the IUPAC name of 4-Bromobenzotrifluoride?

The IUPAC name of 4-Bromobenzotrifluoride is 1-bromo-4-(trifluoromethyl)benzene.

What is the InChI of 4-Bromobenzotrifluoride?

The InChI of 4-Bromobenzotrifluoride is InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H.

What is the InChIKey of 4-Bromobenzotrifluoride?

The InChIKey of 4-Bromobenzotrifluoride is XLQSXGGDTHANLN-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromobenzotrifluoride?

The canonical SMILES of 4-Bromobenzotrifluoride is C1=CC(=CC=C1C(F)(F)F)Br.

What is the CAS number of 4-Bromobenzotrifluoride?

The CAS number of 4-Bromobenzotrifluoride is 402-43-7.

What is the European Community (EC) number of 4-Bromobenzotrifluoride?

The European Community (EC) number of 4-Bromobenzotrifluoride is 206-943-6.

What is the DSSTox Substance ID of 4-Bromobenzotrifluoride?

The DSSTox Substance ID of 4-Bromobenzotrifluoride is DTXSID0059950.

Is 4-Bromobenzotrifluoride a canonicalized compound?

Yes, 4-Bromobenzotrifluoride is a canonicalized compound according to PubChem.

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4-Bromobenzotrifluoride

Name: 4-Bromobenzotrifluoride
SKU: ACM402437
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Catalog NumberACM402437

CAS Number402-43-7

CategoryLiquid Crystal (LC) Building Blocks

IUPAC Name

1-bromo-4-(trifluoromethyl)benzene

Molecular Weight

225.01g/mol

Molecular Formula

C7H4BrF3

Canonical SMILES

C1=CC(=CC=C1C(F)(F)F)Br

InChI

InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChI Key

XLQSXGGDTHANLN-UHFFFAOYSA-N

Boiling Point

160.0 °C

Complexity

124

Covalently-Bonded Unit Count

EC Number

206-943-6

Exact Mass

223.94485g/mol

Formal Charge

Hazard Statements

H302

Heavy Atom Count

Monoisotopic Mass

223.94485g/mol

Rotatable Bond Count

XLogP3

3.9

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