4-Methoxy-3-(trifluoromethyl)bromobenzene

• CAS: 1514-11-0
• Catalog Number: ACM1514110
• Category: Bromine Series
• Molecular Weight: 255.03
• Molecular Formula: C8H6 Br F3 O
• Synonyms: ZINC02382274, JRD-0918, CID2775304, 4-Methoxy-3-(trifluoromethyl)bromobenzene, LT03381665, 1514-11-0
• IUPAC Name: 4-bromo-1-methoxy-2-(trifluoromethyl)benzene
• Canonical SMILES: COC1=C(C=C(C=C1)Br)C(F)(F)F
• InChI Key: XTFPWZDSCKENBJ-UHFFFAOYSA-N
• Boiling Point: 219.2ºC at 760mmHg
• Flash Point: 105.3ºC
• Density: 1.563g/cm³
• Exact Mass: 253.95500
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Safety Description: S26-S36

Custom Q&A

What is the molecular formula of 4-Methoxy-3-(trifluoromethyl)bromobenzene?

The molecular formula is C8H6BrF3O.

When was 4-Methoxy-3-(trifluoromethyl)bromobenzene created and modified on PubChem?

It was created on July 19, 2005, and last modified on December 2, 2023.

What is the IUPAC name of 4-Methoxy-3-(trifluoromethyl)bromobenzene?

The IUPAC name is 4-bromo-1-methoxy-2-(trifluoromethyl)benzene.

What is the InChI code of 4-Methoxy-3-(trifluoromethyl)bromobenzene?

The InChI code is InChI=1S/C8H6BrF3O/c1-13-7-3-2-5(9)4-6(7)8(10,11)12/h2-4H,1H3.

What is the Canonical SMILES of 4-Methoxy-3-(trifluoromethyl)bromobenzene?

The Canonical SMILES is COC1=C(C=C(C=C1)Br)C(F)(F)F.

What is the molecular weight of 4-Methoxy-3-(trifluoromethyl)bromobenzene?

The molecular weight is 255.03 g/mol.

What is the XLogP3-AA value of 4-Methoxy-3-(trifluoromethyl)bromobenzene?

The XLogP3-AA value is 3.5.

How many hydrogen bond donor counts does 4-Methoxy-3-(trifluoromethyl)bromobenzene have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-Methoxy-3-(trifluoromethyl)bromobenzene have?

It has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does 4-Methoxy-3-(trifluoromethyl)bromobenzene have?

It has 1 rotatable bond count.