anilinophosphonic acid

C6H8NO3P — CID 11277334

IUPACanilinophosphonic acid
SMILESO=P(O)(O)Nc1ccccc1
InChIInChI=1S/C6H8NO3P/c8-11(9,10)7-6-4-2-1-3-5-6/h1-5H,(H3,7,8,9,10)
InChIKeyMHDLAWFYLQAULB-UHFFFAOYSA-N
MW173.11 g/mol
LogP1.19
Rot. Bonds2

About anilinophosphonic acid

anilinophosphonic acid (PubChem CID 11277334) has the molecular formula C6H8NO3P and a molecular weight of 173.11 g/mol. Its IUPAC name is anilinophosphonic acid.

Molecular Properties

Compound Nameanilinophosphonic acid
PubChem CID11277334
Molecular FormulaC6H8NO3P
Molecular Weight173.11 g/mol
Exact Mass173.02
IUPAC Nameanilinophosphonic acid
SMILESO=P(O)(O)Nc1ccccc1
InChIInChI=1S/C6H8NO3P/c8-11(9,10)7-6-4-2-1-3-5-6/h1-5H,(H3,7,8,9,10)
InChIKeyMHDLAWFYLQAULB-UHFFFAOYSA-N
XLogP1.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anilinophosphonic acid?
The IUPAC name of anilinophosphonic acid (CID 11277334) is anilinophosphonic acid.
What is the SMILES notation for anilinophosphonic acid?
The canonical SMILES for anilinophosphonic acid is O=P(O)(O)Nc1ccccc1.
What is the InChIKey of anilinophosphonic acid?
The InChIKey is MHDLAWFYLQAULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO3P/c8-11(9,10)7-6-4-2-1-3-5-6/h1-5H,(H3,7,8,9,10).
What are the key properties of anilinophosphonic acid?
anilinophosphonic acid has a molecular weight of 173.11 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anilinophosphonic acid is sourced from PubChem (CID 11277334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).