bromo(trichloro)(113C)methane

CBrCl3 — CID 71309025

IUPACbromo(trichloro)(113C)methane
SMILESCl[13C](Cl)(Cl)Br
InChIInChI=1S/CBrCl3/c2-1(3,4)5/i1+1
InChIKeyXNNQFQFUQLJSQT-OUBTZVSYSA-N
MW199.27 g/mol
LogP2.71
Rot. Bonds

About bromo(trichloro)(113C)methane

bromo(trichloro)(113C)methane (PubChem CID 71309025) has the molecular formula CBrCl3 and a molecular weight of 199.27 g/mol. Its IUPAC name is bromo(trichloro)(113C)methane.

Molecular Properties

Compound Namebromo(trichloro)(113C)methane
PubChem CID71309025
Molecular FormulaCBrCl3
Molecular Weight199.27 g/mol
Exact Mass196.83
IUPAC Namebromo(trichloro)(113C)methane
SMILESCl[13C](Cl)(Cl)Br
InChIInChI=1S/CBrCl3/c2-1(3,4)5/i1+1
InChIKeyXNNQFQFUQLJSQT-OUBTZVSYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo(trichloro)(113C)methane?
The IUPAC name of bromo(trichloro)(113C)methane (CID 71309025) is bromo(trichloro)(113C)methane.
What is the SMILES notation for bromo(trichloro)(113C)methane?
The canonical SMILES for bromo(trichloro)(113C)methane is Cl[13C](Cl)(Cl)Br.
What is the InChIKey of bromo(trichloro)(113C)methane?
The InChIKey is XNNQFQFUQLJSQT-OUBTZVSYSA-N. The full InChI is InChI=1S/CBrCl3/c2-1(3,4)5/i1+1.
What are the key properties of bromo(trichloro)(113C)methane?
bromo(trichloro)(113C)methane has a molecular weight of 199.27 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(trichloro)(113C)methane is sourced from PubChem (CID 71309025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).