3-Bromo-2-fluorobenzotrifluoride

• CAS: 144584-67-8
• Catalog Number: ACM144584678
• Category: Bromine Series
• Molecular Weight: 242.99
• Molecular Formula: C₇H₃BrF₄
• Synonyms: 3-Bromo-2-fluorobenzotrifluoride, 549010_ALDRICH, JRD-0128, 1-Bromo-2-fluoro-3-trifluoromethyl-benzene, ST5408586, TL8000983, 144584-67-8
• IUPAC Name: 1-bromo-2-fluoro-3-(trifluoromethyl)benzene
• Canonical SMILES: C1=CC(=C(C(=C1)Br)F)C(F)(F)F
• InChI Key: VPXCYIIXCVJZKZ-UHFFFAOYSA-N
• Boiling Point: 164.2ºC at 760mmHg
• Flash Point: 68.4ºC
• Density: 1.72
• Exact Mass: 241.93500
• 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 3-Bromo-2-fluorobenzotrifluoride?

Molecular formula of 3-Bromo-2-fluorobenzotrifluoride is C7H3BrF4.

What is the IUPAC name of 3-Bromo-2-fluorobenzotrifluoride?

The IUPAC name of 3-Bromo-2-fluorobenzotrifluoride is 1-bromo-2-fluoro-3-(trifluoromethyl)benzene.

What is the InChI of 3-Bromo-2-fluorobenzotrifluoride?

The InChI of 3-Bromo-2-fluorobenzotrifluoride is InChI=1S/C7H3BrF4/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H.

What is the InChIKey of 3-Bromo-2-fluorobenzotrifluoride?

The InChIKey of 3-Bromo-2-fluorobenzotrifluoride is VPXCYIIXCVJZKZ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3-Bromo-2-fluorobenzotrifluoride have?

3-Bromo-2-fluorobenzotrifluoride has 0 hydrogen bond donor counts.

What is the exact mass of 3-Bromo-2-fluorobenzotrifluoride?

The exact mass of 3-Bromo-2-fluorobenzotrifluoride is 241.93543 g/mol.

How many rotatable bond counts does 3-Bromo-2-fluorobenzotrifluoride have?

3-Bromo-2-fluorobenzotrifluoride has 0 rotatable bond counts.

What is the topological polar surface area of 3-Bromo-2-fluorobenzotrifluoride?

The topological polar surface area of 3-Bromo-2-fluorobenzotrifluoride is 0Ų.

How many heavy atom counts does 3-Bromo-2-fluorobenzotrifluoride have?

3-Bromo-2-fluorobenzotrifluoride has 12 heavy atom counts.

Is 3-Bromo-2-fluorobenzotrifluoride a canonicalized compound?

Yes, 3-Bromo-2-fluorobenzotrifluoride is a canonicalized compound.