CID 154243878

C7H3BCl4 — CID 154243878

IUPAC—
SMILES[B]c1c(Cl)c(Cl)c(C)c(Cl)c1Cl
InChIInChI=1S/C7H3BCl4/c1-2-4(9)6(11)3(8)7(12)5(2)10/h1H3
InChIKeyYYYISJGARAKMRC-UHFFFAOYSA-N
MW239.72 g/mol
LogP3.40
Rot. Bonds

About CID 154243878

CID 154243878 (PubChem CID 154243878) has the molecular formula C7H3BCl4 and a molecular weight of 239.72 g/mol.

Molecular Properties

Compound NameCID 154243878
PubChem CID154243878
Molecular FormulaC7H3BCl4
Molecular Weight239.72 g/mol
Exact Mass237.91
IUPAC Name—
SMILES[B]c1c(Cl)c(Cl)c(C)c(Cl)c1Cl
InChIInChI=1S/C7H3BCl4/c1-2-4(9)6(11)3(8)7(12)5(2)10/h1H3
InChIKeyYYYISJGARAKMRC-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154243878?
The IUPAC name of CID 154243878 (CID 154243878) is not available.
What is the SMILES notation for CID 154243878?
The canonical SMILES for CID 154243878 is [B]c1c(Cl)c(Cl)c(C)c(Cl)c1Cl.
What is the InChIKey of CID 154243878?
The InChIKey is YYYISJGARAKMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BCl4/c1-2-4(9)6(11)3(8)7(12)5(2)10/h1H3.
What are the key properties of CID 154243878?
CID 154243878 has a molecular weight of 239.72 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154243878 is sourced from PubChem (CID 154243878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).