aminophosphonous acid;benzaldehyde

C7H10NO3P — CID 87549202

IUPACaminophosphonous acid;benzaldehyde
SMILESNP(O)O.O=Cc1ccccc1
InChIInChI=1S/C7H6O.H4NO2P/c8-6-7-4-2-1-3-5-7;1-4(2)3/h1-6H;2-3H,1H2
InChIKeyRSIFDTVUTUWWQJ-UHFFFAOYSA-N
MW187.14 g/mol
LogP0.66
Rot. Bonds1

About aminophosphonous acid;benzaldehyde

aminophosphonous acid;benzaldehyde (PubChem CID 87549202) has the molecular formula C7H10NO3P and a molecular weight of 187.14 g/mol. Its IUPAC name is aminophosphonous acid;benzaldehyde.

Molecular Properties

Compound Nameaminophosphonous acid;benzaldehyde
PubChem CID87549202
Molecular FormulaC7H10NO3P
Molecular Weight187.14 g/mol
Exact Mass187.04
IUPAC Nameaminophosphonous acid;benzaldehyde
SMILESNP(O)O.O=Cc1ccccc1
InChIInChI=1S/C7H6O.H4NO2P/c8-6-7-4-2-1-3-5-7;1-4(2)3/h1-6H;2-3H,1H2
InChIKeyRSIFDTVUTUWWQJ-UHFFFAOYSA-N
XLogP0.66
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aminophosphonous acid;benzaldehyde?
The IUPAC name of aminophosphonous acid;benzaldehyde (CID 87549202) is aminophosphonous acid;benzaldehyde.
What is the SMILES notation for aminophosphonous acid;benzaldehyde?
The canonical SMILES for aminophosphonous acid;benzaldehyde is NP(O)O.O=Cc1ccccc1.
What is the InChIKey of aminophosphonous acid;benzaldehyde?
The InChIKey is RSIFDTVUTUWWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.H4NO2P/c8-6-7-4-2-1-3-5-7;1-4(2)3/h1-6H;2-3H,1H2.
What are the key properties of aminophosphonous acid;benzaldehyde?
aminophosphonous acid;benzaldehyde has a molecular weight of 187.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonous acid;benzaldehyde is sourced from PubChem (CID 87549202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).