1-chloro-N-phenylmethanimine;yttrium

C7H4ClNY-2 — CID 59049812

IUPAC1-chloro-N-phenylmethanimine;yttrium
SMILESCl/[C-]=N/c1[c-]cccc1.[Y]
InChIInChI=1S/C7H4ClN.Y/c8-6-9-7-4-2-1-3-5-7;/h1-4H;/q-2;
InChIKeyVWPKSLKRMYZUDC-UHFFFAOYSA-N
MW226.48 g/mol
LogP2.26
Rot. Bonds1

About 1-chloro-N-phenylmethanimine;yttrium

1-chloro-N-phenylmethanimine;yttrium (PubChem CID 59049812) has the molecular formula C7H4ClNY-2 and a molecular weight of 226.48 g/mol. Its IUPAC name is 1-chloro-N-phenylmethanimine;yttrium.

Molecular Properties

Compound Name1-chloro-N-phenylmethanimine;yttrium
PubChem CID59049812
Molecular FormulaC7H4ClNY-2
Molecular Weight226.48 g/mol
Exact Mass225.91
IUPAC Name1-chloro-N-phenylmethanimine;yttrium
SMILESCl/[C-]=N/c1[c-]cccc1.[Y]
InChIInChI=1S/C7H4ClN.Y/c8-6-9-7-4-2-1-3-5-7;/h1-4H;/q-2;
InChIKeyVWPKSLKRMYZUDC-UHFFFAOYSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 91866824
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-phenylmethanimine;yttrium?
The IUPAC name of 1-chloro-N-phenylmethanimine;yttrium (CID 59049812) is 1-chloro-N-phenylmethanimine;yttrium.
What is the SMILES notation for 1-chloro-N-phenylmethanimine;yttrium?
The canonical SMILES for 1-chloro-N-phenylmethanimine;yttrium is Cl/[C-]=N/c1[c-]cccc1.[Y].
What is the InChIKey of 1-chloro-N-phenylmethanimine;yttrium?
The InChIKey is VWPKSLKRMYZUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN.Y/c8-6-9-7-4-2-1-3-5-7;/h1-4H;/q-2;.
What are the key properties of 1-chloro-N-phenylmethanimine;yttrium?
1-chloro-N-phenylmethanimine;yttrium has a molecular weight of 226.48 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-phenylmethanimine;yttrium is sourced from PubChem (CID 59049812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).