2,6-dichloro-4-nitrophenol

C6H3Cl2NO3 — CID 12066

IUPAC2,6-dichloro-4-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKeyPXSGFTWBZNPNIC-UHFFFAOYSA-N
MW208.00 g/mol
LogP2.61
Rot. Bonds1

About 2,6-dichloro-4-nitrophenol

2,6-dichloro-4-nitrophenol (PubChem CID 12066) has the molecular formula C6H3Cl2NO3 and a molecular weight of 208.00 g/mol. Its IUPAC name is 2,6-dichloro-4-nitrophenol.

Molecular Properties

Compound Name2,6-dichloro-4-nitrophenol
PubChem CID12066
Molecular FormulaC6H3Cl2NO3
Molecular Weight208.00 g/mol
Exact Mass206.95
IUPAC Name2,6-dichloro-4-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKeyPXSGFTWBZNPNIC-UHFFFAOYSA-N
XLogP2.61
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nitrofungin
CID 12074
2-Amino-6-Chloro-4-Nitrophenol
CID 4679699
2-Chloro-4,6-dinitrophenol
CID 13681
2-Chloro-4-nitrosophenol, moist
CID 99846
2-Amino-6-Chloro-4-Nitrophenol Hydrochloride
CID 12213213
4-Amino-2,6-dichlorophenol
CID 80037
4-Amino-2-chlorophenol
CID 77578
Phenol, 2-chloro-6-nitro-
CID 11784
2,4-Dichloro-6-nitrophenol
CID 11871
1,3-Dichloro-2-methoxy-5-nitrobenzene
CID 309716
3-Chloro-4-nitrophenol
CID 10283
phenol, 2,4-dichloro-6-nitro-, sodium salt
CID 46741

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-nitrophenol?
The IUPAC name of 2,6-dichloro-4-nitrophenol (CID 12066) is 2,6-dichloro-4-nitrophenol.
What is the SMILES notation for 2,6-dichloro-4-nitrophenol?
The canonical SMILES for 2,6-dichloro-4-nitrophenol is O=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-nitrophenol?
The InChIKey is PXSGFTWBZNPNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H.
What are the key properties of 2,6-dichloro-4-nitrophenol?
2,6-dichloro-4-nitrophenol has a molecular weight of 208.00 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-nitrophenol is sourced from PubChem (CID 12066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).