CID 171777366

CH3BiNO4 — CID 171777366

IUPAC—
SMILESCO[Bi]O[N+](=O)[O-]
InChIInChI=1S/CH3O.Bi.NO3/c1-2;;2-1(3)4/h1H3;;/q-1;+2;-1
InChIKeyXWDHJPGTDACYQY-UHFFFAOYSA-N
MW302.02 g/mol
LogP-0.62
Rot. Bonds3

About CID 171777366

CID 171777366 (PubChem CID 171777366) has the molecular formula CH3BiNO4 and a molecular weight of 302.02 g/mol.

Molecular Properties

Compound NameCID 171777366
PubChem CID171777366
Molecular FormulaCH3BiNO4
Molecular Weight302.02 g/mol
Exact Mass301.99
IUPAC Name—
SMILESCO[Bi]O[N+](=O)[O-]
InChIInChI=1S/CH3O.Bi.NO3/c1-2;;2-1(3)4/h1H3;;/q-1;+2;-1
InChIKeyXWDHJPGTDACYQY-UHFFFAOYSA-N
XLogP-0.62
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.02
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Nitroperoxy)methane
CID 123510
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CID 141727465
CID 141727465
CID 141727467
CID 141727467
Dicopper;methanolate;nitrate
CID 160288588
Copper;methanolate;nitrate
CID 173307085
Methanolate;nickel(2+);nitrate
CID 175513205
Bis(copper(1+));methanolate;nitrate
CID 21847381

Frequently Asked Questions

What is the IUPAC name of CID 171777366?
The IUPAC name of CID 171777366 (CID 171777366) is not available.
What is the SMILES notation for CID 171777366?
The canonical SMILES for CID 171777366 is CO[Bi]O[N+](=O)[O-].
What is the InChIKey of CID 171777366?
The InChIKey is XWDHJPGTDACYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O.Bi.NO3/c1-2;;2-1(3)4/h1H3;;/q-1;+2;-1.
What are the key properties of CID 171777366?
CID 171777366 has a molecular weight of 302.02 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171777366 is sourced from PubChem (CID 171777366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).