1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene

C12H10Cl2NO3P — CID 2313173

IUPAC1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene
SMILESNP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C12H10Cl2NO3P/c13-9-5-1-3-7-11(9)17-19(15,16)18-12-8-4-2-6-10(12)14/h1-8H,(H2,15,16)
InChIKeyPWIDHRVZYQRKMD-UHFFFAOYSA-N
MW318.10 g/mol
LogP4.52
Rot. Bonds4

About 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene

1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene (PubChem CID 2313173) has the molecular formula C12H10Cl2NO3P and a molecular weight of 318.10 g/mol. Its IUPAC name is 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene.

Molecular Properties

Compound Name1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene
PubChem CID2313173
Molecular FormulaC12H10Cl2NO3P
Molecular Weight318.10 g/mol
Exact Mass316.98
IUPAC Name1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene
SMILESNP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C12H10Cl2NO3P/c13-9-5-1-3-7-11(9)17-19(15,16)18-12-8-4-2-6-10(12)14/h1-8H,(H2,15,16)
InChIKeyPWIDHRVZYQRKMD-UHFFFAOYSA-N
XLogP4.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.10
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene?
The IUPAC name of 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene (CID 2313173) is 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene.
What is the SMILES notation for 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene?
The canonical SMILES for 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene is NP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl.
What is the InChIKey of 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene?
The InChIKey is PWIDHRVZYQRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2NO3P/c13-9-5-1-3-7-11(9)17-19(15,16)18-12-8-4-2-6-10(12)14/h1-8H,(H2,15,16).
What are the key properties of 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene?
1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene has a molecular weight of 318.10 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene is sourced from PubChem (CID 2313173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).