aniline;benzenediazonium;dihydrogen phosphate

C12H14N3O4P — CID 173150231

IUPACaniline;benzenediazonium;dihydrogen phosphate
SMILESN#[N+]c1ccccc1.Nc1ccccc1.O=P([O-])(O)O
InChIInChI=1S/C6H5N2.C6H7N.H3O4P/c7-8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;1-5H,7H2;(H3,1,2,3,4)/q+1;;/p-1
InChIKeyWGUJWSYIRNIWQW-UHFFFAOYSA-M
MW295.24 g/mol
LogP1.88
Rot. Bonds

About aniline;benzenediazonium;dihydrogen phosphate

aniline;benzenediazonium;dihydrogen phosphate (PubChem CID 173150231) has the molecular formula C12H14N3O4P and a molecular weight of 295.24 g/mol. Its IUPAC name is aniline;benzenediazonium;dihydrogen phosphate.

Molecular Properties

Compound Nameaniline;benzenediazonium;dihydrogen phosphate
PubChem CID173150231
Molecular FormulaC12H14N3O4P
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Nameaniline;benzenediazonium;dihydrogen phosphate
SMILESN#[N+]c1ccccc1.Nc1ccccc1.O=P([O-])(O)O
InChIInChI=1S/C6H5N2.C6H7N.H3O4P/c7-8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;1-5H,7H2;(H3,1,2,3,4)/q+1;;/p-1
InChIKeyWGUJWSYIRNIWQW-UHFFFAOYSA-M
XLogP1.88
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175182600
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aniline;N-phenylaniline;phosphoric acid
CID 66746384
tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate
CID 173289960
aniline;methanol
CID 140536335
dihydrogen phosphate;pyridin-1-ium-4-amine;hydrate
CID 139198007
aniline;azane
CID 171780637
aniline;mercury(2+)
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aniline;mercury
CID 54604260
aniline;niobium
CID 161015220
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CID 173419318

Frequently Asked Questions

What is the IUPAC name of aniline;benzenediazonium;dihydrogen phosphate?
The IUPAC name of aniline;benzenediazonium;dihydrogen phosphate (CID 173150231) is aniline;benzenediazonium;dihydrogen phosphate.
What is the SMILES notation for aniline;benzenediazonium;dihydrogen phosphate?
The canonical SMILES for aniline;benzenediazonium;dihydrogen phosphate is N#[N+]c1ccccc1.Nc1ccccc1.O=P([O-])(O)O.
What is the InChIKey of aniline;benzenediazonium;dihydrogen phosphate?
The InChIKey is WGUJWSYIRNIWQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5N2.C6H7N.H3O4P/c7-8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;1-5H,7H2;(H3,1,2,3,4)/q+1;;/p-1.
What are the key properties of aniline;benzenediazonium;dihydrogen phosphate?
aniline;benzenediazonium;dihydrogen phosphate has a molecular weight of 295.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;benzenediazonium;dihydrogen phosphate is sourced from PubChem (CID 173150231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).