1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene

C8H7Cl4N2O2P — CID 71395804

IUPAC1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene
SMILESNP(N)(=O)OC(=C(Cl)Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl4N2O2P/c9-5-3-1-2-4(6(5)10)7(8(11)12)16-17(13,14)15/h1-3H,(H4,13,14,15)
InChIKeyHMAUNNBUTIEZMC-UHFFFAOYSA-N
MW335.94 g/mol
LogP4.14
Rot. Bonds3

About 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene

1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene (PubChem CID 71395804) has the molecular formula C8H7Cl4N2O2P and a molecular weight of 335.94 g/mol. Its IUPAC name is 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene
PubChem CID71395804
Molecular FormulaC8H7Cl4N2O2P
Molecular Weight335.94 g/mol
Exact Mass333.90
IUPAC Name1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene
SMILESNP(N)(=O)OC(=C(Cl)Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl4N2O2P/c9-5-3-1-2-4(6(5)10)7(8(11)12)16-17(13,14)15/h1-3H,(H4,13,14,15)
InChIKeyHMAUNNBUTIEZMC-UHFFFAOYSA-N
XLogP4.14
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.94
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene?
The IUPAC name of 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene (CID 71395804) is 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene is NP(N)(=O)OC(=C(Cl)Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene?
The InChIKey is HMAUNNBUTIEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl4N2O2P/c9-5-3-1-2-4(6(5)10)7(8(11)12)16-17(13,14)15/h1-3H,(H4,13,14,15).
What are the key properties of 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene?
1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene has a molecular weight of 335.94 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(2,2-dichloro-1-diaminophosphoryloxyethenyl)benzene is sourced from PubChem (CID 71395804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).