Compound C16H9Cl3N4O2

2-(3-nitrophenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine

CAS: 3599-81-3

Molecular Formula	`C16H9Cl3N4O2`
Molecular Weight	395.6 g/mol
LogP	4.8
Topological Polar Surface Area	84.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	393.9791
Heavy Atoms	25
Complexity	465.0

Chemical Identifiers

CAS Number	3599-81-3
SMILES	`C1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C3=CC(=CC=C3)[N+](=O)[O-]`
InChIKey	`KXQZNRVBRPRZQB-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H9Cl3N4O2 (CAS: 3599-81-3) is a chemical compound with molecular formula C16H9Cl3N4O2 and molecular weight 395.6 g/mol. Its IUPAC systematic name is 2-(3-nitrophenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine. LogP 4.8 Topological Polar Surface Area 84.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 393.9791 Heavy Atoms 25 Complexity 465.0 InChI Key: KXQZNRVBRPRZQB-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C3=CC(=CC=C3)[N+](=O)[O-].

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