4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol

C13H8Cl2FNO2 — CID 90794897

IUPAC4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol
SMILESO=NCc1ccc(-c2ccc(O)c(F)c2)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-12-8(6-17-19)1-3-9(13(12)15)7-2-4-11(18)10(16)5-7/h1-5,18H,6H2
InChIKeyKCORUICNVKMFGA-UHFFFAOYSA-N
MW300.12 g/mol
LogP4.77
Rot. Bonds3

About 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol

4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol (PubChem CID 90794897) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol
PubChem CID90794897
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol
SMILESO=NCc1ccc(-c2ccc(O)c(F)c2)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-12-8(6-17-19)1-3-9(13(12)15)7-2-4-11(18)10(16)5-7/h1-5,18H,6H2
InChIKeyKCORUICNVKMFGA-UHFFFAOYSA-N
XLogP4.77
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol?
The IUPAC name of 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol (CID 90794897) is 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol.
What is the SMILES notation for 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol?
The canonical SMILES for 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol is O=NCc1ccc(-c2ccc(O)c(F)c2)c(Cl)c1Cl.
What is the InChIKey of 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol?
The InChIKey is KCORUICNVKMFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-12-8(6-17-19)1-3-9(13(12)15)7-2-4-11(18)10(16)5-7/h1-5,18H,6H2.
What are the key properties of 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol?
4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol has a molecular weight of 300.12 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol is sourced from PubChem (CID 90794897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).