1,3-dichloro-2-nitrosobenzene

C6H3Cl2NO — CID 518463

IUPAC1,3-dichloro-2-nitrosobenzene
SMILESO=Nc1c(Cl)cccc1Cl
InChIInChI=1S/C6H3Cl2NO/c7-4-2-1-3-5(8)6(4)9-10/h1-3H
InChIKeyICYPOGVRNGUWNP-UHFFFAOYSA-N
MW176.00 g/mol
LogP3.39
Rot. Bonds1

About 1,3-dichloro-2-nitrosobenzene

1,3-dichloro-2-nitrosobenzene (PubChem CID 518463) has the molecular formula C6H3Cl2NO and a molecular weight of 176.00 g/mol. Its IUPAC name is 1,3-dichloro-2-nitrosobenzene.

Molecular Properties

Compound Name1,3-dichloro-2-nitrosobenzene
PubChem CID518463
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00 g/mol
Exact Mass174.96
IUPAC Name1,3-dichloro-2-nitrosobenzene
SMILESO=Nc1c(Cl)cccc1Cl
InChIInChI=1S/C6H3Cl2NO/c7-4-2-1-3-5(8)6(4)9-10/h1-3H
InChIKeyICYPOGVRNGUWNP-UHFFFAOYSA-N
XLogP3.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.00
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-nitrosobenzene?
The IUPAC name of 1,3-dichloro-2-nitrosobenzene (CID 518463) is 1,3-dichloro-2-nitrosobenzene.
What is the SMILES notation for 1,3-dichloro-2-nitrosobenzene?
The canonical SMILES for 1,3-dichloro-2-nitrosobenzene is O=Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-nitrosobenzene?
The InChIKey is ICYPOGVRNGUWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO/c7-4-2-1-3-5(8)6(4)9-10/h1-3H.
What are the key properties of 1,3-dichloro-2-nitrosobenzene?
1,3-dichloro-2-nitrosobenzene has a molecular weight of 176.00 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-nitrosobenzene is sourced from PubChem (CID 518463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).