4-chloro-6-nitrosobenzene-1,3-diol

C6H4ClNO3 — CID 11148011

IUPAC4-chloro-6-nitrosobenzene-1,3-diol
SMILESO=Nc1cc(Cl)c(O)cc1O
InChIInChI=1S/C6H4ClNO3/c7-3-1-4(8-11)6(10)2-5(3)9/h1-2,9-10H
InChIKeyJVTXZVVELSONAM-UHFFFAOYSA-N
MW173.56 g/mol
LogP2.15
Rot. Bonds1

About 4-chloro-6-nitrosobenzene-1,3-diol

4-chloro-6-nitrosobenzene-1,3-diol (PubChem CID 11148011) has the molecular formula C6H4ClNO3 and a molecular weight of 173.56 g/mol. Its IUPAC name is 4-chloro-6-nitrosobenzene-1,3-diol.

Molecular Properties

Compound Name4-chloro-6-nitrosobenzene-1,3-diol
PubChem CID11148011
Molecular FormulaC6H4ClNO3
Molecular Weight173.56 g/mol
Exact Mass172.99
IUPAC Name4-chloro-6-nitrosobenzene-1,3-diol
SMILESO=Nc1cc(Cl)c(O)cc1O
InChIInChI=1S/C6H4ClNO3/c7-3-1-4(8-11)6(10)2-5(3)9/h1-2,9-10H
InChIKeyJVTXZVVELSONAM-UHFFFAOYSA-N
XLogP2.15
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-nitrosobenzene-1,3-diol?
The IUPAC name of 4-chloro-6-nitrosobenzene-1,3-diol (CID 11148011) is 4-chloro-6-nitrosobenzene-1,3-diol.
What is the SMILES notation for 4-chloro-6-nitrosobenzene-1,3-diol?
The canonical SMILES for 4-chloro-6-nitrosobenzene-1,3-diol is O=Nc1cc(Cl)c(O)cc1O.
What is the InChIKey of 4-chloro-6-nitrosobenzene-1,3-diol?
The InChIKey is JVTXZVVELSONAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO3/c7-3-1-4(8-11)6(10)2-5(3)9/h1-2,9-10H.
What are the key properties of 4-chloro-6-nitrosobenzene-1,3-diol?
4-chloro-6-nitrosobenzene-1,3-diol has a molecular weight of 173.56 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-nitrosobenzene-1,3-diol is sourced from PubChem (CID 11148011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).