(2-chlorophenyl) dihydrogen phosphate dichloride

C6H6Cl3O4P-2 — CID 20976937

IUPAC(2-chlorophenyl) dihydrogen phosphate dichloride
SMILESO=P(O)(O)Oc1ccccc1Cl.[Cl-].[Cl-]
InChIInChI=1S/C6H6ClO4P.2ClH/c7-5-3-1-2-4-6(5)11-12(8,9)10;;/h1-4H,(H2,8,9,10);2*1H/p-2
InChIKeyCYBDSXGAJMAGTR-UHFFFAOYSA-L
MW279.44 g/mol
LogP-4.18
Rot. Bonds2

About (2-chlorophenyl) dihydrogen phosphate dichloride

(2-chlorophenyl) dihydrogen phosphate dichloride (PubChem CID 20976937) has the molecular formula C6H6Cl3O4P-2 and a molecular weight of 279.44 g/mol. Its IUPAC name is (2-chlorophenyl) dihydrogen phosphate dichloride.

Molecular Properties

Compound Name(2-chlorophenyl) dihydrogen phosphate dichloride
PubChem CID20976937
Molecular FormulaC6H6Cl3O4P-2
Molecular Weight279.44 g/mol
Exact Mass277.91
IUPAC Name(2-chlorophenyl) dihydrogen phosphate dichloride
SMILESO=P(O)(O)Oc1ccccc1Cl.[Cl-].[Cl-]
InChIInChI=1S/C6H6ClO4P.2ClH/c7-5-3-1-2-4-6(5)11-12(8,9)10;;/h1-4H,(H2,8,9,10);2*1H/p-2
InChIKeyCYBDSXGAJMAGTR-UHFFFAOYSA-L
XLogP-4.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 5-4.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenoxy) dihydrogen phosphate
CID 175260184
(2-chlorophenyl) nitro hydrogen phosphate
CID 139740859
chloro bis(2-chlorophenyl) phosphate
CID 68561656
1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene
CID 154177622
(3-chloro-2-nitrophenyl) dihydrogen phosphate
CID 67408002
bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))
CID 173412876
(2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate
CID 172721380
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
2-bis(2-chlorophenoxy)phosphorylacetonitrile
CID 154139597
2-phosphonooxybenzenediazonium
CID 101390583
[2-(difluoromethyl)phenyl] dihydrogen phosphate
CID 69493795

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) dihydrogen phosphate dichloride?
The IUPAC name of (2-chlorophenyl) dihydrogen phosphate dichloride (CID 20976937) is (2-chlorophenyl) dihydrogen phosphate dichloride.
What is the SMILES notation for (2-chlorophenyl) dihydrogen phosphate dichloride?
The canonical SMILES for (2-chlorophenyl) dihydrogen phosphate dichloride is O=P(O)(O)Oc1ccccc1Cl.[Cl-].[Cl-].
What is the InChIKey of (2-chlorophenyl) dihydrogen phosphate dichloride?
The InChIKey is CYBDSXGAJMAGTR-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6ClO4P.2ClH/c7-5-3-1-2-4-6(5)11-12(8,9)10;;/h1-4H,(H2,8,9,10);2*1H/p-2.
What are the key properties of (2-chlorophenyl) dihydrogen phosphate dichloride?
(2-chlorophenyl) dihydrogen phosphate dichloride has a molecular weight of 279.44 g/mol, XLogP of -4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) dihydrogen phosphate dichloride is sourced from PubChem (CID 20976937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).