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 47.9Å².

How many heavy atom counts does the keyword have?

The keyword has 22 heavy atom counts.

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

Name: 2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SKU: ACM3584234
Rating: 5 (1 reviews)

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Catalog NumberACM3584234

CAS Number3584-23-4

CategoryPolymerization Initiators; Polymerization Reagents

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

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

Purity

98.0%

Appearance

Slightly pale yellow to Yellow
solid

Complexity

345

Covalently-Bonded Unit Count

EC Number

222-711-7

Exact Mass

420.869078g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

418.872028g/mol

Rotatable Bond Count

XLogP3

4.9

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