nitro phenyl hydrogen phosphate;dihydrochloride

C6H8Cl2NO6P — CID 67892340

IUPACnitro phenyl hydrogen phosphate;dihydrochloride
SMILESCl.Cl.O=[N+]([O-])OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C6H6NO6P.2ClH/c8-7(9)13-14(10,11)12-6-4-2-1-3-5-6;;/h1-5H,(H,10,11);2*1H
InChIKeySGFODTYTCYLARO-UHFFFAOYSA-N
MW292.01 g/mol
LogP2.22
Rot. Bonds4

About nitro phenyl hydrogen phosphate;dihydrochloride

nitro phenyl hydrogen phosphate;dihydrochloride (PubChem CID 67892340) has the molecular formula C6H8Cl2NO6P and a molecular weight of 292.01 g/mol. Its IUPAC name is nitro phenyl hydrogen phosphate;dihydrochloride.

Molecular Properties

Compound Namenitro phenyl hydrogen phosphate;dihydrochloride
PubChem CID67892340
Molecular FormulaC6H8Cl2NO6P
Molecular Weight292.01 g/mol
Exact Mass290.95
IUPAC Namenitro phenyl hydrogen phosphate;dihydrochloride
SMILESCl.Cl.O=[N+]([O-])OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C6H6NO6P.2ClH/c8-7(9)13-14(10,11)12-6-4-2-1-3-5-6;;/h1-5H,(H,10,11);2*1H
InChIKeySGFODTYTCYLARO-UHFFFAOYSA-N
XLogP2.22
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 52.22
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'}

Analyze nitro phenyl hydrogen phosphate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
azane;(4-nitrophenyl) phenyl hydrogen phosphate
CID 154734089
methane;phenyl phosphono hydrogen phosphate
CID 88820079
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
hydroxy phenyl hydrogen phosphate
CID 19103302
chloroform;diphenyl hydrogen phosphate
CID 174899919
(2-amino-1,1-dinitroethyl) phenyl hydrogen phosphate
CID 87143794
(2-chlorophenyl) nitro hydrogen phosphate
CID 139740859
phenoxy phenyl hydrogen phosphate
CID 172853202
cesium phenyl hydrogen phosphate
CID 175568082

Frequently Asked Questions

What is the IUPAC name of nitro phenyl hydrogen phosphate;dihydrochloride?
The IUPAC name of nitro phenyl hydrogen phosphate;dihydrochloride (CID 67892340) is nitro phenyl hydrogen phosphate;dihydrochloride.
What is the SMILES notation for nitro phenyl hydrogen phosphate;dihydrochloride?
The canonical SMILES for nitro phenyl hydrogen phosphate;dihydrochloride is Cl.Cl.O=[N+]([O-])OP(=O)(O)Oc1ccccc1.
What is the InChIKey of nitro phenyl hydrogen phosphate;dihydrochloride?
The InChIKey is SGFODTYTCYLARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO6P.2ClH/c8-7(9)13-14(10,11)12-6-4-2-1-3-5-6;;/h1-5H,(H,10,11);2*1H.
What are the key properties of nitro phenyl hydrogen phosphate;dihydrochloride?
nitro phenyl hydrogen phosphate;dihydrochloride has a molecular weight of 292.01 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitro phenyl hydrogen phosphate;dihydrochloride is sourced from PubChem (CID 67892340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).