CID 88642661

C6H5BaNO3 — CID 88642661

IUPAC—
SMILESO=C(O)c1ccc[nH]c1=O.[Ba]
InChIInChI=1S/C6H5NO3.Ba/c8-5-4(6(9)10)2-1-3-7-5;/h1-3H,(H,7,8)(H,9,10);
InChIKeyACVFTWUMJJRTBP-UHFFFAOYSA-N
MW276.44 g/mol
LogP-0.31
Rot. Bonds1

About CID 88642661

CID 88642661 (PubChem CID 88642661) has the molecular formula C6H5BaNO3 and a molecular weight of 276.44 g/mol.

Molecular Properties

Compound NameCID 88642661
PubChem CID88642661
Molecular FormulaC6H5BaNO3
Molecular Weight276.44 g/mol
Exact Mass276.93
IUPAC Name—
SMILESO=C(O)c1ccc[nH]c1=O.[Ba]
InChIInChI=1S/C6H5NO3.Ba/c8-5-4(6(9)10)2-1-3-7-5;/h1-3H,(H,7,8)(H,9,10);
InChIKeyACVFTWUMJJRTBP-UHFFFAOYSA-N
XLogP-0.31
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 88642661?
The IUPAC name of CID 88642661 (CID 88642661) is not available.
What is the SMILES notation for CID 88642661?
The canonical SMILES for CID 88642661 is O=C(O)c1ccc[nH]c1=O.[Ba].
What is the InChIKey of CID 88642661?
The InChIKey is ACVFTWUMJJRTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.Ba/c8-5-4(6(9)10)2-1-3-7-5;/h1-3H,(H,7,8)(H,9,10);.
What are the key properties of CID 88642661?
CID 88642661 has a molecular weight of 276.44 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88642661 is sourced from PubChem (CID 88642661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).