(2-chlorophenyl) nitro hydrogen phosphate

C6H5ClNO6P — CID 139740859

IUPAC(2-chlorophenyl) nitro hydrogen phosphate
SMILESO=[N+]([O-])OP(=O)(O)Oc1ccccc1Cl
InChIInChI=1S/C6H5ClNO6P/c7-5-3-1-2-4-6(5)13-15(11,12)14-8(9)10/h1-4H,(H,11,12)
InChIKeyPFPNKZYSGPKEOW-UHFFFAOYSA-N
MW253.53 g/mol
LogP2.03
Rot. Bonds4

About (2-chlorophenyl) nitro hydrogen phosphate

(2-chlorophenyl) nitro hydrogen phosphate (PubChem CID 139740859) has the molecular formula C6H5ClNO6P and a molecular weight of 253.53 g/mol. Its IUPAC name is (2-chlorophenyl) nitro hydrogen phosphate.

Molecular Properties

Compound Name(2-chlorophenyl) nitro hydrogen phosphate
PubChem CID139740859
Molecular FormulaC6H5ClNO6P
Molecular Weight253.53 g/mol
Exact Mass252.95
IUPAC Name(2-chlorophenyl) nitro hydrogen phosphate
SMILESO=[N+]([O-])OP(=O)(O)Oc1ccccc1Cl
InChIInChI=1S/C6H5ClNO6P/c7-5-3-1-2-4-6(5)13-15(11,12)14-8(9)10/h1-4H,(H,11,12)
InChIKeyPFPNKZYSGPKEOW-UHFFFAOYSA-N
XLogP2.03
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
(2-chlorophenyl) nitrate
CID 141071843
nitro phenyl hydrogen phosphate;dihydrochloride
CID 67892340
bis(2-chloro-4-nitrophenyl) hydrogen phosphate
CID 141057226
(3-chloro-2-nitrophenyl) dihydrogen phosphate
CID 67408002
(2-chloro-4-nitrophenyl) phenyl hydrogen phosphate
CID 141057225
chloro bis(2-chlorophenyl) phosphate
CID 68561656
(2-chlorophenoxy) dihydrogen phosphate
CID 175260184
1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene
CID 154177622
methyl (2-nitrophenyl) hydrogen phosphate
CID 131852175
bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))
CID 173412876
1,2-dichlorobenzene;nitromethane
CID 174874189

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) nitro hydrogen phosphate?
The IUPAC name of (2-chlorophenyl) nitro hydrogen phosphate (CID 139740859) is (2-chlorophenyl) nitro hydrogen phosphate.
What is the SMILES notation for (2-chlorophenyl) nitro hydrogen phosphate?
The canonical SMILES for (2-chlorophenyl) nitro hydrogen phosphate is O=[N+]([O-])OP(=O)(O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) nitro hydrogen phosphate?
The InChIKey is PFPNKZYSGPKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClNO6P/c7-5-3-1-2-4-6(5)13-15(11,12)14-8(9)10/h1-4H,(H,11,12).
What are the key properties of (2-chlorophenyl) nitro hydrogen phosphate?
(2-chlorophenyl) nitro hydrogen phosphate has a molecular weight of 253.53 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) nitro hydrogen phosphate is sourced from PubChem (CID 139740859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).