3-chloroprop-1-enylbenzene;yttrium

C9H7ClY-2 — CID 134860836

IUPAC3-chloroprop-1-enylbenzene;yttrium
SMILESClC/[C-]=C/c1[c-]cccc1.[Y]
InChIInChI=1S/C9H7Cl.Y/c10-8-4-7-9-5-2-1-3-6-9;/h1-3,5,7H,8H2;/q-2;
InChIKeyFOMRZMPUKMMGNZ-UHFFFAOYSA-N
MW239.51 g/mol
LogP2.54
Rot. Bonds2

About 3-chloroprop-1-enylbenzene;yttrium

3-chloroprop-1-enylbenzene;yttrium (PubChem CID 134860836) has the molecular formula C9H7ClY-2 and a molecular weight of 239.51 g/mol. Its IUPAC name is 3-chloroprop-1-enylbenzene;yttrium.

Molecular Properties

Compound Name3-chloroprop-1-enylbenzene;yttrium
PubChem CID134860836
Molecular FormulaC9H7ClY-2
Molecular Weight239.51 g/mol
Exact Mass238.93
IUPAC Name3-chloroprop-1-enylbenzene;yttrium
SMILESClC/[C-]=C/c1[c-]cccc1.[Y]
InChIInChI=1S/C9H7Cl.Y/c10-8-4-7-9-5-2-1-3-6-9;/h1-3,5,7H,8H2;/q-2;
InChIKeyFOMRZMPUKMMGNZ-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_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 3-chloroprop-1-enylbenzene;yttrium?
The IUPAC name of 3-chloroprop-1-enylbenzene;yttrium (CID 134860836) is 3-chloroprop-1-enylbenzene;yttrium.
What is the SMILES notation for 3-chloroprop-1-enylbenzene;yttrium?
The canonical SMILES for 3-chloroprop-1-enylbenzene;yttrium is ClC/[C-]=C/c1[c-]cccc1.[Y].
What is the InChIKey of 3-chloroprop-1-enylbenzene;yttrium?
The InChIKey is FOMRZMPUKMMGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl.Y/c10-8-4-7-9-5-2-1-3-6-9;/h1-3,5,7H,8H2;/q-2;.
What are the key properties of 3-chloroprop-1-enylbenzene;yttrium?
3-chloroprop-1-enylbenzene;yttrium has a molecular weight of 239.51 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-1-enylbenzene;yttrium is sourced from PubChem (CID 134860836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).