ethane;(4-methylphenyl) carbonochloridate;uranium

C10H12ClO2U- — CID 176941938

IUPACethane;(4-methylphenyl) carbonochloridate;uranium
SMILESCc1ccc(OC(=O)Cl)cc1.[CH2-]C.[U]
InChIInChI=1S/C8H7ClO2.C2H5.U/c1-6-2-4-7(5-3-6)11-8(9)10;1-2;/h2-5H,1H3;1H2,2H3;/q;-1;
InChIKeyXUIIFIPYQCDBNM-UHFFFAOYSA-N
MW437.69 g/mol
LogP3.57
Rot. Bonds1

About ethane;(4-methylphenyl) carbonochloridate;uranium

ethane;(4-methylphenyl) carbonochloridate;uranium (PubChem CID 176941938) has the molecular formula C10H12ClO2U- and a molecular weight of 437.69 g/mol. Its IUPAC name is ethane;(4-methylphenyl) carbonochloridate;uranium.

Molecular Properties

Compound Nameethane;(4-methylphenyl) carbonochloridate;uranium
PubChem CID176941938
Molecular FormulaC10H12ClO2U-
Molecular Weight437.69 g/mol
Exact Mass437.10
IUPAC Nameethane;(4-methylphenyl) carbonochloridate;uranium
SMILESCc1ccc(OC(=O)Cl)cc1.[CH2-]C.[U]
InChIInChI=1S/C8H7ClO2.C2H5.U/c1-6-2-4-7(5-3-6)11-8(9)10;1-2;/h2-5H,1H3;1H2,2H3;/q;-1;
InChIKeyXUIIFIPYQCDBNM-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.69
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl) carbonochloridate;uranium?
The IUPAC name of ethane;(4-methylphenyl) carbonochloridate;uranium (CID 176941938) is ethane;(4-methylphenyl) carbonochloridate;uranium.
What is the SMILES notation for ethane;(4-methylphenyl) carbonochloridate;uranium?
The canonical SMILES for ethane;(4-methylphenyl) carbonochloridate;uranium is Cc1ccc(OC(=O)Cl)cc1.[CH2-]C.[U].
What is the InChIKey of ethane;(4-methylphenyl) carbonochloridate;uranium?
The InChIKey is XUIIFIPYQCDBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2.C2H5.U/c1-6-2-4-7(5-3-6)11-8(9)10;1-2;/h2-5H,1H3;1H2,2H3;/q;-1;.
What are the key properties of ethane;(4-methylphenyl) carbonochloridate;uranium?
ethane;(4-methylphenyl) carbonochloridate;uranium has a molecular weight of 437.69 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl) carbonochloridate;uranium is sourced from PubChem (CID 176941938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).