CID 173151523

HBNO2Ti — CID 173151523

IUPAC—
SMILESO=NO.[B].[Ti]
InChIInChI=1S/B.HNO2.Ti/c;2-1-3;/h;(H,2,3);
InChIKeyLGWRCHJDCGMFBH-UHFFFAOYSA-N
MW105.69 g/mol
LogP-0.24
Rot. Bonds

About CID 173151523

CID 173151523 (PubChem CID 173151523) has the molecular formula HBNO2Ti and a molecular weight of 105.69 g/mol.

Molecular Properties

Compound NameCID 173151523
PubChem CID173151523
Molecular FormulaHBNO2Ti
Molecular Weight105.69 g/mol
Exact Mass105.96
IUPAC Name—
SMILESO=NO.[B].[Ti]
InChIInChI=1S/B.HNO2.Ti/c;2-1-3;/h;(H,2,3);
InChIKeyLGWRCHJDCGMFBH-UHFFFAOYSA-N
XLogP-0.24
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.69
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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nickel;nitrous acid
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pentasodium;hydride;nitrous acid
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nitrous acid;zirconium;pentahydrate
CID 173401323
tripotassium;iridium(3+);nitrous acid
CID 170844348
sodium;nitrous acid;hydroxide
CID 174860307
nitrous acid;bis(oxygen(2-));titanium(4+)
CID 158829832
nickel;nitrous acid;hexahydrate
CID 173110001
tetrasodium;hydride;nitrous acid
CID 173431718
potassium;hydride;nitrous acid;hydrate
CID 175146726

Frequently Asked Questions

What is the IUPAC name of CID 173151523?
The IUPAC name of CID 173151523 (CID 173151523) is not available.
What is the SMILES notation for CID 173151523?
The canonical SMILES for CID 173151523 is O=NO.[B].[Ti].
What is the InChIKey of CID 173151523?
The InChIKey is LGWRCHJDCGMFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/B.HNO2.Ti/c;2-1-3;/h;(H,2,3);.
What are the key properties of CID 173151523?
CID 173151523 has a molecular weight of 105.69 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173151523 is sourced from PubChem (CID 173151523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).