CID 162182418

C10H10BCl2MnO6 — CID 162182418

IUPAC—
SMILESCl[Mn]Cl.O=COc1cc(C(=O)O)cc(C(=O)O)c1.[3H][B]C
InChIInChI=1S/C9H6O6.CH4B.2ClH.Mn/c10-4-15-7-2-5(8(11)12)1-6(3-7)9(13)14;1-2;;;/h1-4H,(H,11,12)(H,13,14);2H,1H3;2*1H;/q;;;;+2/p-2/i;2T;;;
InChIKeyZIQOLLQINKTFOY-DWKCSKCVSA-L
MW364.85 g/mol
LogP1.93
Rot. Bonds4

About CID 162182418

CID 162182418 (PubChem CID 162182418) has the molecular formula C10H10BCl2MnO6 and a molecular weight of 364.85 g/mol.

Molecular Properties

Compound NameCID 162182418
PubChem CID162182418
Molecular FormulaC10H10BCl2MnO6
Molecular Weight364.85 g/mol
Exact Mass363.94
IUPAC Name—
SMILESCl[Mn]Cl.O=COc1cc(C(=O)O)cc(C(=O)O)c1.[3H][B]C
InChIInChI=1S/C9H6O6.CH4B.2ClH.Mn/c10-4-15-7-2-5(8(11)12)1-6(3-7)9(13)14;1-2;;;/h1-4H,(H,11,12)(H,13,14);2H,1H3;2*1H;/q;;;;+2/p-2/i;2T;;;
InChIKeyZIQOLLQINKTFOY-DWKCSKCVSA-L
XLogP1.93
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 170179005
benzene-1,3,5-tricarboxylic acid;europium
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benzene-1,3,5-tricarboxylic acid;vanadium
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Frequently Asked Questions

What is the IUPAC name of CID 162182418?
The IUPAC name of CID 162182418 (CID 162182418) is not available.
What is the SMILES notation for CID 162182418?
The canonical SMILES for CID 162182418 is Cl[Mn]Cl.O=COc1cc(C(=O)O)cc(C(=O)O)c1.[3H][B]C.
What is the InChIKey of CID 162182418?
The InChIKey is ZIQOLLQINKTFOY-DWKCSKCVSA-L. The full InChI is InChI=1S/C9H6O6.CH4B.2ClH.Mn/c10-4-15-7-2-5(8(11)12)1-6(3-7)9(13)14;1-2;;;/h1-4H,(H,11,12)(H,13,14);2H,1H3;2*1H;/q;;;;+2/p-2/i;2T;;;.
What are the key properties of CID 162182418?
CID 162182418 has a molecular weight of 364.85 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162182418 is sourced from PubChem (CID 162182418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).