4-(3-chloro-4-fluorophenyl)-2-nitrophenol

C12H7ClFNO3 — CID 53221671

IUPAC4-(3-chloro-4-fluorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2ccc(F)c(Cl)c2)ccc1O
InChIInChI=1S/C12H7ClFNO3/c13-9-5-7(1-3-10(9)14)8-2-4-12(16)11(6-8)15(17)18/h1-6,16H
InChIKeyWMEUFWKHDFWADF-UHFFFAOYSA-N
MW267.64 g/mol
LogP3.76
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-2-nitrophenol

4-(3-chloro-4-fluorophenyl)-2-nitrophenol (PubChem CID 53221671) has the molecular formula C12H7ClFNO3 and a molecular weight of 267.64 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-2-nitrophenol.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-2-nitrophenol
PubChem CID53221671
Molecular FormulaC12H7ClFNO3
Molecular Weight267.64 g/mol
Exact Mass267.01
IUPAC Name4-(3-chloro-4-fluorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2ccc(F)c(Cl)c2)ccc1O
InChIInChI=1S/C12H7ClFNO3/c13-9-5-7(1-3-10(9)14)8-2-4-12(16)11(6-8)15(17)18/h1-6,16H
InChIKeyWMEUFWKHDFWADF-UHFFFAOYSA-N
XLogP3.76
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 53.76
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-(3-chloro-4-fluorophenyl)-2-nitrophenol?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-nitrophenol (CID 53221671) is 4-(3-chloro-4-fluorophenyl)-2-nitrophenol.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-2-nitrophenol?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-2-nitrophenol is O=[N+]([O-])c1cc(-c2ccc(F)c(Cl)c2)ccc1O.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-2-nitrophenol?
The InChIKey is WMEUFWKHDFWADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO3/c13-9-5-7(1-3-10(9)14)8-2-4-12(16)11(6-8)15(17)18/h1-6,16H.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-2-nitrophenol?
4-(3-chloro-4-fluorophenyl)-2-nitrophenol has a molecular weight of 267.64 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-2-nitrophenol is sourced from PubChem (CID 53221671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).