4-chloro-2-nitrophenol

C6H4ClNO3 — CID 6980

IUPAC4-chloro-2-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)ccc1O
InChIInChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKeyNWSIFTLPLKCTSX-UHFFFAOYSA-N
MW173.56 g/mol
LogP1.95
Rot. Bonds1

About 4-chloro-2-nitrophenol

4-chloro-2-nitrophenol (PubChem CID 6980) has the molecular formula C6H4ClNO3 and a molecular weight of 173.56 g/mol. Its IUPAC name is 4-chloro-2-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-nitrophenol
PubChem CID6980
Molecular FormulaC6H4ClNO3
Molecular Weight173.56 g/mol
Exact Mass172.99
IUPAC Name4-chloro-2-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)ccc1O
InChIInChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKeyNWSIFTLPLKCTSX-UHFFFAOYSA-N
XLogP1.95
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitrophenol?
The IUPAC name of 4-chloro-2-nitrophenol (CID 6980) is 4-chloro-2-nitrophenol.
What is the SMILES notation for 4-chloro-2-nitrophenol?
The canonical SMILES for 4-chloro-2-nitrophenol is O=[N+]([O-])c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-nitrophenol?
The InChIKey is NWSIFTLPLKCTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H.
What are the key properties of 4-chloro-2-nitrophenol?
4-chloro-2-nitrophenol has a molecular weight of 173.56 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitrophenol is sourced from PubChem (CID 6980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).