chloro-(4-nitrophenoxy)phosphinic acid

C6H5ClNO5P — CID 54199741

IUPACchloro-(4-nitrophenoxy)phosphinic acid
SMILESO=[N+]([O-])c1ccc(OP(=O)(O)Cl)cc1
InChIInChI=1S/C6H5ClNO5P/c7-14(11,12)13-6-3-1-5(2-4-6)8(9)10/h1-4H,(H,11,12)
InChIKeyPOJQQSMYPRZIDQ-UHFFFAOYSA-N
MW237.53 g/mol
LogP2.31
Rot. Bonds3

About chloro-(4-nitrophenoxy)phosphinic acid

chloro-(4-nitrophenoxy)phosphinic acid (PubChem CID 54199741) has the molecular formula C6H5ClNO5P and a molecular weight of 237.53 g/mol. Its IUPAC name is chloro-(4-nitrophenoxy)phosphinic acid.

Molecular Properties

Compound Namechloro-(4-nitrophenoxy)phosphinic acid
PubChem CID54199741
Molecular FormulaC6H5ClNO5P
Molecular Weight237.53 g/mol
Exact Mass236.96
IUPAC Namechloro-(4-nitrophenoxy)phosphinic acid
SMILESO=[N+]([O-])c1ccc(OP(=O)(O)Cl)cc1
InChIInChI=1S/C6H5ClNO5P/c7-14(11,12)13-6-3-1-5(2-4-6)8(9)10/h1-4H,(H,11,12)
InChIKeyPOJQQSMYPRZIDQ-UHFFFAOYSA-N
XLogP2.31
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;(4-nitrophenyl) dihydrogen phosphate
CID 118856328
(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
amino (4-nitrophenyl) hydrogen phosphate
CID 69185179
(4-nitrophenyl) phosphate
CID 4686862
chloro bis(4-nitrophenyl) phosphate
CID 141011401
azane;(4-nitrophenyl) phenyl hydrogen phosphate
CID 154734089
1-[bromo-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
CID 88777359
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(4-nitrophenyl) dihydrogen phosphate;hydrate
CID 91886329
azanium (4-nitrophenyl) phenyl phosphate
CID 132649079
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide
CID 2303956
ethyl (2S)-2-[[chloro-(4-nitrophenoxy)phosphoryl]amino]propanoate
CID 58664005

Frequently Asked Questions

What is the IUPAC name of chloro-(4-nitrophenoxy)phosphinic acid?
The IUPAC name of chloro-(4-nitrophenoxy)phosphinic acid (CID 54199741) is chloro-(4-nitrophenoxy)phosphinic acid.
What is the SMILES notation for chloro-(4-nitrophenoxy)phosphinic acid?
The canonical SMILES for chloro-(4-nitrophenoxy)phosphinic acid is O=[N+]([O-])c1ccc(OP(=O)(O)Cl)cc1.
What is the InChIKey of chloro-(4-nitrophenoxy)phosphinic acid?
The InChIKey is POJQQSMYPRZIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClNO5P/c7-14(11,12)13-6-3-1-5(2-4-6)8(9)10/h1-4H,(H,11,12).
What are the key properties of chloro-(4-nitrophenoxy)phosphinic acid?
chloro-(4-nitrophenoxy)phosphinic acid has a molecular weight of 237.53 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-nitrophenoxy)phosphinic acid is sourced from PubChem (CID 54199741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).