(3-bromo-2-chlorophenyl) dihydrogen phosphate

C6H5BrClO4P — CID 54375223

IUPAC(3-bromo-2-chlorophenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(Br)c1Cl
InChIInChI=1S/C6H5BrClO4P/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyUWAFTVOXQNGLPS-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.57
Rot. Bonds2

About (3-bromo-2-chlorophenyl) dihydrogen phosphate

(3-bromo-2-chlorophenyl) dihydrogen phosphate (PubChem CID 54375223) has the molecular formula C6H5BrClO4P and a molecular weight of 287.43 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl) dihydrogen phosphate
PubChem CID54375223
Molecular FormulaC6H5BrClO4P
Molecular Weight287.43 g/mol
Exact Mass285.88
IUPAC Name(3-bromo-2-chlorophenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(Br)c1Cl
InChIInChI=1S/C6H5BrClO4P/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyUWAFTVOXQNGLPS-UHFFFAOYSA-N
XLogP2.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl) dihydrogen phosphate?
The IUPAC name of (3-bromo-2-chlorophenyl) dihydrogen phosphate (CID 54375223) is (3-bromo-2-chlorophenyl) dihydrogen phosphate.
What is the SMILES notation for (3-bromo-2-chlorophenyl) dihydrogen phosphate?
The canonical SMILES for (3-bromo-2-chlorophenyl) dihydrogen phosphate is O=P(O)(O)Oc1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl) dihydrogen phosphate?
The InChIKey is UWAFTVOXQNGLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClO4P/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of (3-bromo-2-chlorophenyl) dihydrogen phosphate?
(3-bromo-2-chlorophenyl) dihydrogen phosphate has a molecular weight of 287.43 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl) dihydrogen phosphate is sourced from PubChem (CID 54375223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).