1-chloro-4-nitrosobenzene

C6H4ClNO — CID 13614

IUPAC1-chloro-4-nitrosobenzene
SMILESO=Nc1ccc(Cl)cc1
InChIInChI=1S/C6H4ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChIKeyIEYSGPZUULPJPQ-UHFFFAOYSA-N
MW141.56 g/mol
LogP2.74
Rot. Bonds1

About 1-chloro-4-nitrosobenzene

1-chloro-4-nitrosobenzene (PubChem CID 13614) has the molecular formula C6H4ClNO and a molecular weight of 141.56 g/mol. Its IUPAC name is 1-chloro-4-nitrosobenzene.

Molecular Properties

Compound Name1-chloro-4-nitrosobenzene
PubChem CID13614
Molecular FormulaC6H4ClNO
Molecular Weight141.56 g/mol
Exact Mass141.00
IUPAC Name1-chloro-4-nitrosobenzene
SMILESO=Nc1ccc(Cl)cc1
InChIInChI=1S/C6H4ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChIKeyIEYSGPZUULPJPQ-UHFFFAOYSA-N
XLogP2.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.56
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Chloro-4-nitrobenzene
CID 7474
1-Chloro-2,4-Dinitrobenzene
CID 6
4-Chloroaniline
CID 7812
1-Chloro-2-nitrobenzene
CID 6945
1,2-Dichloro-4-nitrobenzene
CID 7443
1-Chloro-3-nitrobenzene
CID 8489
2,4-Dichloronitrobenzene
CID 11899
Nitrosobenzene
CID 11473
4-Chlorophenyl Isocyanate
CID 7693
4,4'-Dichloroazoxybenzene
CID 11960
4-Chloroaniline hydrochloride
CID 5284363
Benzene, 1,3-dichloro-5-nitro-
CID 12064

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-nitrosobenzene?
The IUPAC name of 1-chloro-4-nitrosobenzene (CID 13614) is 1-chloro-4-nitrosobenzene.
What is the SMILES notation for 1-chloro-4-nitrosobenzene?
The canonical SMILES for 1-chloro-4-nitrosobenzene is O=Nc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-nitrosobenzene?
The InChIKey is IEYSGPZUULPJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4H.
What are the key properties of 1-chloro-4-nitrosobenzene?
1-chloro-4-nitrosobenzene has a molecular weight of 141.56 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-nitrosobenzene is sourced from PubChem (CID 13614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).