(3-chloro-5-nitrophenyl)phosphonic acid

C6H5ClNO5P — CID 134986189

IUPAC(3-chloro-5-nitrophenyl)phosphonic acid
SMILESO=[N+]([O-])c1cc(Cl)cc(P(=O)(O)O)c1
InChIInChI=1S/C6H5ClNO5P/c7-4-1-5(8(9)10)3-6(2-4)14(11,12)13/h1-3H,(H2,11,12,13)
InChIKeyAIVGIAMCWAKJQZ-UHFFFAOYSA-N
MW237.53 g/mol
LogP1.05
Rot. Bonds2

About (3-chloro-5-nitrophenyl)phosphonic acid

(3-chloro-5-nitrophenyl)phosphonic acid (PubChem CID 134986189) has the molecular formula C6H5ClNO5P and a molecular weight of 237.53 g/mol. Its IUPAC name is (3-chloro-5-nitrophenyl)phosphonic acid.

Molecular Properties

Compound Name(3-chloro-5-nitrophenyl)phosphonic acid
PubChem CID134986189
Molecular FormulaC6H5ClNO5P
Molecular Weight237.53 g/mol
Exact Mass236.96
IUPAC Name(3-chloro-5-nitrophenyl)phosphonic acid
SMILESO=[N+]([O-])c1cc(Cl)cc(P(=O)(O)O)c1
InChIInChI=1S/C6H5ClNO5P/c7-4-1-5(8(9)10)3-6(2-4)14(11,12)13/h1-3H,(H2,11,12,13)
InChIKeyAIVGIAMCWAKJQZ-UHFFFAOYSA-N
XLogP1.05
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.53
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-chloro-5-nitro-N-oxidoaniline
CID 145476773
1-chloro-3-isocyanato-5-nitrobenzene
CID 79002028
(2,6-dichloro-4-nitrophenyl) dihydrogen phosphate
CID 3082633
1-(3-chloro-5-nitrophenyl)ethanol
CID 139729439
(2,6-dichloro-4-nitrophenyl) hydrogen phosphate
CID 4205027
2,6-bis(3,5-dichlorophenyl)-4-nitropyridine
CID 133087448
3-chloro-N-ethoxy-5-nitrobenzamide
CID 78994602
1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
CID 134630362
bis(2-chloro-4-nitrophenyl) hydrogen phosphate
CID 141057226
3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
CID 3457149
(E)-3-(3-chloro-5-nitrophenyl)prop-2-enoic acid
CID 21404179
2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
CID 62152532

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-nitrophenyl)phosphonic acid?
The IUPAC name of (3-chloro-5-nitrophenyl)phosphonic acid (CID 134986189) is (3-chloro-5-nitrophenyl)phosphonic acid.
What is the SMILES notation for (3-chloro-5-nitrophenyl)phosphonic acid?
The canonical SMILES for (3-chloro-5-nitrophenyl)phosphonic acid is O=[N+]([O-])c1cc(Cl)cc(P(=O)(O)O)c1.
What is the InChIKey of (3-chloro-5-nitrophenyl)phosphonic acid?
The InChIKey is AIVGIAMCWAKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClNO5P/c7-4-1-5(8(9)10)3-6(2-4)14(11,12)13/h1-3H,(H2,11,12,13).
What are the key properties of (3-chloro-5-nitrophenyl)phosphonic acid?
(3-chloro-5-nitrophenyl)phosphonic acid has a molecular weight of 237.53 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-nitrophenyl)phosphonic acid is sourced from PubChem (CID 134986189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).