sodium;hypochlorous acid;azide

HClN3NaO — CID 174925395

IUPACsodium;hypochlorous acid;azide
SMILESOCl.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/ClHO.N3.Na/c1-2;1-3-2;/h2H;;/q;-1;+1
InChIKeyJRGLGJJYAWTBIL-UHFFFAOYSA-N
MW117.47 g/mol
LogP-2.00
Rot. Bonds

About sodium;hypochlorous acid;azide

sodium;hypochlorous acid;azide (PubChem CID 174925395) has the molecular formula HClN3NaO and a molecular weight of 117.47 g/mol. Its IUPAC name is sodium;hypochlorous acid;azide.

Molecular Properties

Compound Namesodium;hypochlorous acid;azide
PubChem CID174925395
Molecular FormulaHClN3NaO
Molecular Weight117.47 g/mol
Exact Mass116.97
IUPAC Namesodium;hypochlorous acid;azide
SMILESOCl.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/ClHO.N3.Na/c1-2;1-3-2;/h2H;;/q;-1;+1
InChIKeyJRGLGJJYAWTBIL-UHFFFAOYSA-N
XLogP-2.00
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.47
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 169446442
sodium;azanide;azide
CID 173041554
aluminum;sodium;azide;trihydrochloride
CID 173364785
titanium(4+) diazide
CID 18957614
copper(1+) azide
CID 57468320
diazide;hydrochloride
CID 172846328
lead(2+) dihydride diazide
CID 173041928
bis(lead(2+));tetraazide
CID 173440998
ruthenium(3+) triazide
CID 11424680
hypochlorous acid
CID 161233655
CID 161100319
CID 161100319
sodium;alumane;hydride;hypochlorous acid
CID 173432301

Frequently Asked Questions

What is the IUPAC name of sodium;hypochlorous acid;azide?
The IUPAC name of sodium;hypochlorous acid;azide (CID 174925395) is sodium;hypochlorous acid;azide.
What is the SMILES notation for sodium;hypochlorous acid;azide?
The canonical SMILES for sodium;hypochlorous acid;azide is OCl.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;hypochlorous acid;azide?
The InChIKey is JRGLGJJYAWTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/ClHO.N3.Na/c1-2;1-3-2;/h2H;;/q;-1;+1.
What are the key properties of sodium;hypochlorous acid;azide?
sodium;hypochlorous acid;azide has a molecular weight of 117.47 g/mol, XLogP of -2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hypochlorous acid;azide is sourced from PubChem (CID 174925395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).