diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium

C9H11ClI5N2O3V2 — CID 161310154

IUPACdiiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium
SMILESCNC(N)=O.I[V](I)I.I[V]I.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C7H5ClO2.C2H6N2O.5HI.2V/c8-7(9)10-6-4-2-1-3-5-6;1-4-2(3)5;;;;;;;/h1-5H;1H3,(H3,3,4,5);5*1H;;/q;;;;;;;+2;+3/p-5
InChIKeyVITVDBREXBKLJT-UHFFFAOYSA-I
MW967.06 g/mol
LogP6.13
Rot. Bonds1

About diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium

diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium (PubChem CID 161310154) has the molecular formula C9H11ClI5N2O3V2 and a molecular weight of 967.06 g/mol. Its IUPAC name is diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium.

Molecular Properties

Compound Namediiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium
PubChem CID161310154
Molecular FormulaC9H11ClI5N2O3V2
Molecular Weight967.06 g/mol
Exact Mass966.46
IUPAC Namediiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium
SMILESCNC(N)=O.I[V](I)I.I[V]I.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C7H5ClO2.C2H6N2O.5HI.2V/c8-7(9)10-6-4-2-1-3-5-6;1-4-2(3)5;;;;;;;/h1-5H;1H3,(H3,3,4,5);5*1H;;/q;;;;;;;+2;+3/p-5
InChIKeyVITVDBREXBKLJT-UHFFFAOYSA-I
XLogP6.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.06
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium?
The IUPAC name of diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium (CID 161310154) is diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium.
What is the SMILES notation for diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium?
The canonical SMILES for diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium is CNC(N)=O.I[V](I)I.I[V]I.O=C(Cl)Oc1ccccc1.
What is the InChIKey of diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium?
The InChIKey is VITVDBREXBKLJT-UHFFFAOYSA-I. The full InChI is InChI=1S/C7H5ClO2.C2H6N2O.5HI.2V/c8-7(9)10-6-4-2-1-3-5-6;1-4-2(3)5;;;;;;;/h1-5H;1H3,(H3,3,4,5);5*1H;;/q;;;;;;;+2;+3/p-5.
What are the key properties of diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium?
diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium has a molecular weight of 967.06 g/mol, XLogP of 6.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;methylurea;phenyl carbonochloridate;triiodovanadium is sourced from PubChem (CID 161310154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).