5-Acetamido-2-bromobenzotrifluoride

• CAS: 41513-05-7
• Catalog Number: ACM41513057
• Category: Bromine Series
• Molecular Weight: 282.06
• Molecular Formula: C9H7BrF3NO
• Synonyms: Maybridge4_003018, ZINC00074572, NCGC00176301-01, ST5408596, 41513-05-7
• IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide
• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F
• InChI Key: AOHSBSXIGFIMNC-UHFFFAOYSA-N
• Boiling Point: 333.8ºC at 760 mmHg
• Melting Point: 116-119ºC
• Flash Point: 155.7ºC
• Density: 1.637g/cm³
• Appearance: powder
• EC Number: 609-933-3
• Exact Mass: 280.96600
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 5-Acetamido-2-bromobenzotrifluoride as per the reference?

The molecular formula of 5-Acetamido-2-bromobenzotrifluoride is C9H7BrF3NO.

When was 5-Acetamido-2-bromobenzotrifluoride created and modified as per the reference?

5-Acetamido-2-bromobenzotrifluoride was created on 2005-07-07 and modified on 2023-12-02.

What is the IUPAC name of 5-Acetamido-2-bromobenzotrifluoride?

The IUPAC name of 5-Acetamido-2-bromobenzotrifluoride is N-[4-bromo-3-(trifluoromethyl)phenyl]acetamide.

What is the Canonical SMILES of 5-Acetamido-2-bromobenzotrifluoride?

The Canonical SMILES of 5-Acetamido-2-bromobenzotrifluoride is CC(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F.

What is the InChIKey of 5-Acetamido-2-bromobenzotrifluoride?

The InChIKey of 5-Acetamido-2-bromobenzotrifluoride is AOHSBSXIGFIMNC-UHFFFAOYSA-N.

What is the molecular weight of 5-Acetamido-2-bromobenzotrifluoride?

The molecular weight of 5-Acetamido-2-bromobenzotrifluoride is 282.06 g/mol.

How many hydrogen bond donor counts does 5-Acetamido-2-bromobenzotrifluoride have?

5-Acetamido-2-bromobenzotrifluoride has 1 hydrogen bond donor count.

What is the topological polar surface area of 5-Acetamido-2-bromobenzotrifluoride?

The topological polar surface area of 5-Acetamido-2-bromobenzotrifluoride is 29.1Ų.

How many rotatable bond counts does 5-Acetamido-2-bromobenzotrifluoride have?

5-Acetamido-2-bromobenzotrifluoride has 1 rotatable bond count.

Is 5-Acetamido-2-bromobenzotrifluoride a canonicalized compound?

Yes, 5-Acetamido-2-bromobenzotrifluoride is a canonicalized compound according to the reference.