bis(3-amino-4-chlorophenoxy)-oxophosphanium

C12H10Cl2N2O3P+ — CID 57214752

IUPACbis(3-amino-4-chlorophenoxy)-oxophosphanium
SMILESNc1cc(O[P+](=O)Oc2ccc(Cl)c(N)c2)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O3P/c13-9-3-1-7(5-11(9)15)18-20(17)19-8-2-4-10(14)12(16)6-8/h1-6H,15-16H2/q+1
InChIKeyPXHYISLLKHEKGA-UHFFFAOYSA-N
MW332.10 g/mol
LogP4.27
Rot. Bonds4

About bis(3-amino-4-chlorophenoxy)-oxophosphanium

bis(3-amino-4-chlorophenoxy)-oxophosphanium (PubChem CID 57214752) has the molecular formula C12H10Cl2N2O3P+ and a molecular weight of 332.10 g/mol. Its IUPAC name is bis(3-amino-4-chlorophenoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-amino-4-chlorophenoxy)-oxophosphanium
PubChem CID57214752
Molecular FormulaC12H10Cl2N2O3P+
Molecular Weight332.10 g/mol
Exact Mass330.98
IUPAC Namebis(3-amino-4-chlorophenoxy)-oxophosphanium
SMILESNc1cc(O[P+](=O)Oc2ccc(Cl)c(N)c2)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O3P/c13-9-3-1-7(5-11(9)15)18-20(17)19-8-2-4-10(14)12(16)6-8/h1-6H,15-16H2/q+1
InChIKeyPXHYISLLKHEKGA-UHFFFAOYSA-N
XLogP4.27
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(3-amino-4-bromophenoxy)-oxophosphanium
CID 57222825
bis(3-chloro-4-methylphenoxy)-oxophosphanium
CID 154133035
2-chloro-5-propan-2-yloxyaniline
CID 39237829
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604
(3-amino-4-chlorophenyl) butaneperoxoate
CID 174747534
2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline
CID 44717352
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
bis(4-chlorobenzene-1,3-diamine);hydrate
CID 174419312
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline
CID 39399797

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-4-chlorophenoxy)-oxophosphanium?
The IUPAC name of bis(3-amino-4-chlorophenoxy)-oxophosphanium (CID 57214752) is bis(3-amino-4-chlorophenoxy)-oxophosphanium.
What is the SMILES notation for bis(3-amino-4-chlorophenoxy)-oxophosphanium?
The canonical SMILES for bis(3-amino-4-chlorophenoxy)-oxophosphanium is Nc1cc(O[P+](=O)Oc2ccc(Cl)c(N)c2)ccc1Cl.
What is the InChIKey of bis(3-amino-4-chlorophenoxy)-oxophosphanium?
The InChIKey is PXHYISLLKHEKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3P/c13-9-3-1-7(5-11(9)15)18-20(17)19-8-2-4-10(14)12(16)6-8/h1-6H,15-16H2/q+1.
What are the key properties of bis(3-amino-4-chlorophenoxy)-oxophosphanium?
bis(3-amino-4-chlorophenoxy)-oxophosphanium has a molecular weight of 332.10 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-amino-4-chlorophenoxy)-oxophosphanium is sourced from PubChem (CID 57214752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).