Compound C17H9Cl2FN4O2

2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-fluorophenyl)acetonitrile

CAS: 103337-74-2

Molecular Formula	`C17H9Cl2FN4O2`
Molecular Weight	391.2 g/mol
LogP	3.5
Topological Polar Surface Area	85.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	390.00867
Heavy Atoms	26
Complexity	632.0

Chemical Identifiers

CAS Number	103337-74-2
SMILES	`C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)F`
InChIKey	`XQKYUBTUOHHNDV-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H9Cl2FN4O2 (CAS: 103337-74-2) is a chemical compound with molecular formula C17H9Cl2FN4O2 and molecular weight 391.2 g/mol. Its IUPAC systematic name is 2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-fluorophenyl)acetonitrile. LogP 3.5 Topological Polar Surface Area 85.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 390.00867 Heavy Atoms 26 Complexity 632.0 InChI Key: XQKYUBTUOHHNDV-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)F.

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