CID 174857565

HBNO4 — CID 174857565

IUPAC—
SMILESO=[N+]([O-])O.[B]=O
InChIInChI=1S/BO.HNO3/c1-2;2-1(3)4/h;(H,2,3,4)
InChIKeyYGKDVOJQUVRPCJ-UHFFFAOYSA-N
MW89.82 g/mol
LogP-0.85
Rot. Bonds

About CID 174857565

CID 174857565 (PubChem CID 174857565) has the molecular formula HBNO4 and a molecular weight of 89.82 g/mol.

Molecular Properties

Compound NameCID 174857565
PubChem CID174857565
Molecular FormulaHBNO4
Molecular Weight89.82 g/mol
Exact Mass90.00
IUPAC Name—
SMILESO=[N+]([O-])O.[B]=O
InChIInChI=1S/BO.HNO3/c1-2;2-1(3)4/h;(H,2,3,4)
InChIKeyYGKDVOJQUVRPCJ-UHFFFAOYSA-N
XLogP-0.85
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.82
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 173119618
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CID 131879224
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CID 54604402
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Frequently Asked Questions

What is the IUPAC name of CID 174857565?
The IUPAC name of CID 174857565 (CID 174857565) is not available.
What is the SMILES notation for CID 174857565?
The canonical SMILES for CID 174857565 is O=[N+]([O-])O.[B]=O.
What is the InChIKey of CID 174857565?
The InChIKey is YGKDVOJQUVRPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/BO.HNO3/c1-2;2-1(3)4/h;(H,2,3,4).
What are the key properties of CID 174857565?
CID 174857565 has a molecular weight of 89.82 g/mol, XLogP of -0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174857565 is sourced from PubChem (CID 174857565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).