isocyanic acid;phosphoric acid

C2H5N2O6P — CID 174655162

IUPACisocyanic acid;phosphoric acid
SMILESN=C=O.N=C=O.O=P(O)(O)O
InChIInChI=1S/2CHNO.H3O4P/c2*2-1-3;1-5(2,3)4/h2*2H;(H3,1,2,3,4)
InChIKeyQAOBJWVDMSCPCD-UHFFFAOYSA-N
MW184.04 g/mol
LogP-1.13
Rot. Bonds

About isocyanic acid;phosphoric acid

isocyanic acid;phosphoric acid (PubChem CID 174655162) has the molecular formula C2H5N2O6P and a molecular weight of 184.04 g/mol. Its IUPAC name is isocyanic acid;phosphoric acid.

Molecular Properties

Compound Nameisocyanic acid;phosphoric acid
PubChem CID174655162
Molecular FormulaC2H5N2O6P
Molecular Weight184.04 g/mol
Exact Mass183.99
IUPAC Nameisocyanic acid;phosphoric acid
SMILESN=C=O.N=C=O.O=P(O)(O)O
InChIInChI=1S/2CHNO.H3O4P/c2*2-1-3;1-5(2,3)4/h2*2H;(H3,1,2,3,4)
InChIKeyQAOBJWVDMSCPCD-UHFFFAOYSA-N
XLogP-1.13
TPSA159.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.04
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

isothiocyanic acid;phosphoric acid
CID 87093486
isocyanic acid;phosphono dihydrogen phosphate
CID 88741339
difluorophosphinic acid;isocyanic acid;oxalic acid
CID 175202268
bis(methylsulfanyl)phosphinic acid;isocyanic acid
CID 88618802
lithium;fluorophosphonic acid;hydride;isocyanic acid;oxalic acid
CID 175199292
phosphoric acid;titanium
CID 139211571
phosphoric acid;trihydrate
CID 18988970
isocyanic acid;lanthanum
CID 160896504
phosphoric acid;zinc
CID 173400996
phosphoric acid;xenon
CID 159732465
Sodium phosphate dibasic, p.a.
CID 86587427
phosphane;phosphoric acid
CID 172840180

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;phosphoric acid?
The IUPAC name of isocyanic acid;phosphoric acid (CID 174655162) is isocyanic acid;phosphoric acid.
What is the SMILES notation for isocyanic acid;phosphoric acid?
The canonical SMILES for isocyanic acid;phosphoric acid is N=C=O.N=C=O.O=P(O)(O)O.
What is the InChIKey of isocyanic acid;phosphoric acid?
The InChIKey is QAOBJWVDMSCPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHNO.H3O4P/c2*2-1-3;1-5(2,3)4/h2*2H;(H3,1,2,3,4).
What are the key properties of isocyanic acid;phosphoric acid?
isocyanic acid;phosphoric acid has a molecular weight of 184.04 g/mol, XLogP of -1.13, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;phosphoric acid is sourced from PubChem (CID 174655162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).