2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol

C13H8BrCl2NO — CID 710302

IUPAC2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Br)cc1
InChIInChI=1S/C13H8BrCl2NO/c14-9-1-3-11(4-2-9)17-7-8-5-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+
InChIKeySCFYGKJRFQUEST-REZTVBANSA-N
MW345.02 g/mol
LogP5.21
Rot. Bonds2

About 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol

2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol (PubChem CID 710302) has the molecular formula C13H8BrCl2NO and a molecular weight of 345.02 g/mol. Its IUPAC name is 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol
PubChem CID710302
Molecular FormulaC13H8BrCl2NO
Molecular Weight345.02 g/mol
Exact Mass342.92
IUPAC Name2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Br)cc1
InChIInChI=1S/C13H8BrCl2NO/c14-9-1-3-11(4-2-9)17-7-8-5-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+
InChIKeySCFYGKJRFQUEST-REZTVBANSA-N
XLogP5.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.02
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol?
The IUPAC name of 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol (CID 710302) is 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol?
The InChIKey is SCFYGKJRFQUEST-REZTVBANSA-N. The full InChI is InChI=1S/C13H8BrCl2NO/c14-9-1-3-11(4-2-9)17-7-8-5-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+.
What are the key properties of 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol?
2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol has a molecular weight of 345.02 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol is sourced from PubChem (CID 710302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).