2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

• Catalog Number: ACM3584234
• Product Name: 2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
• CAS: 3584-23-4
• Category: Main Products
• Synonyms: 3,6-Triazine,2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1
• IUPAC Name: 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
• Molecular Weight: 421.9g/mol
• Molecular Formula: C12H7Cl6N3O
• Canonical SMILES: COC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
• InChI: InChI=1S/C12H7Cl6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3
• InChI Key: QRHHZFRCJDAUNA-UHFFFAOYSA-N
• Appearance: Slightly pale yellow to Yellow; solid
• Complexity: 345
• Covalently-Bonded Unit Count: 1
• EC Number: 222-711-7
• Exact Mass: 420.869078g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 22
• Monoisotopic Mass: 418.872028g/mol
• Rotatable Bond Count: 2
• XLogP3: 4.9

Custom Q&A

What is the molecular formula of the keyword?

The molecular formula of the keyword is C12H7Cl6N3O.

What is the molecular weight of the keyword?

The molecular weight of the keyword is 421.9 g/mol.

What is the IUPAC name of the keyword?

The IUPAC name of the keyword is 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.

What is the CAS number of the keyword?

The CAS number of the keyword is 3584-23-4.

What is the InChIKey of the keyword?

The InChIKey of the keyword is QRHHZFRCJDAUNA-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the keyword have?

The keyword has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the keyword have?

The keyword has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the keyword have?

The keyword has 2 rotatable bond counts.

What is the topological polar surface area of the keyword?

The topological polar surface area of the keyword is 47.9Ų.

How many heavy atom counts does the keyword have?

The keyword has 22 heavy atom counts.