1,2-dichloro-4-nitrosobenzene

C6H3Cl2NO — CID 6455423

IUPAC1,2-dichloro-4-nitrosobenzene
SMILESO=Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2NO/c7-5-2-1-4(9-10)3-6(5)8/h1-3H
InChIKeyLPULKMGKXQFAAH-UHFFFAOYSA-N
MW176.00 g/mol
LogP3.39
Rot. Bonds1

About 1,2-dichloro-4-nitrosobenzene

1,2-dichloro-4-nitrosobenzene (PubChem CID 6455423) has the molecular formula C6H3Cl2NO and a molecular weight of 176.00 g/mol. Its IUPAC name is 1,2-dichloro-4-nitrosobenzene.

Molecular Properties

Compound Name1,2-dichloro-4-nitrosobenzene
PubChem CID6455423
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00 g/mol
Exact Mass174.96
IUPAC Name1,2-dichloro-4-nitrosobenzene
SMILESO=Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2NO/c7-5-2-1-4(9-10)3-6(5)8/h1-3H
InChIKeyLPULKMGKXQFAAH-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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Related Compounds

1-Chloro-4-nitrobenzene
CID 7474
3,4-Dichloroaniline
CID 7257
1,2-Dichloro-4-nitrobenzene
CID 7443
3,4-Dichlorophenyl isocyanate
CID 7607
1-Chloro-3-nitrobenzene
CID 8489
2,3,4,5-Tetrachloronitrobenzene
CID 13428
2,3-Dichloronitrobenzene
CID 18555
2,4,5-Trichloronitrobenzene
CID 6983
2,3,4-Trichloronitrobenzene
CID 28697
Benzene, 1,3-dichloro-5-nitro-
CID 12064
3,4,5-Trichloronitrobenzene
CID 88365
3,4,5-Trichloroaniline
CID 12469

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-nitrosobenzene?
The IUPAC name of 1,2-dichloro-4-nitrosobenzene (CID 6455423) is 1,2-dichloro-4-nitrosobenzene.
What is the SMILES notation for 1,2-dichloro-4-nitrosobenzene?
The canonical SMILES for 1,2-dichloro-4-nitrosobenzene is O=Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-nitrosobenzene?
The InChIKey is LPULKMGKXQFAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO/c7-5-2-1-4(9-10)3-6(5)8/h1-3H.
What are the key properties of 1,2-dichloro-4-nitrosobenzene?
1,2-dichloro-4-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 1,2-dichloro-4-nitrosobenzene is sourced from PubChem (CID 6455423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).