benzene;bromocopper;carbanide

C7H8BrCu-2 — CID 134843479

IUPACbenzene;bromocopper;carbanide
SMILES[CH3-].[Cu]Br.[c-]1ccccc1
InChIInChI=1S/C6H5.CH3.BrH.Cu/c1-2-4-6-5-3-1;;;/h1-5H;1H3;1H;/q2*-1;;+1/p-1
InChIKeyHNUFKTKKKPNVQY-UHFFFAOYSA-M
MW235.59 g/mol
LogP2.78
Rot. Bonds

About benzene;bromocopper;carbanide

benzene;bromocopper;carbanide (PubChem CID 134843479) has the molecular formula C7H8BrCu-2 and a molecular weight of 235.59 g/mol. Its IUPAC name is benzene;bromocopper;carbanide.

Molecular Properties

Compound Namebenzene;bromocopper;carbanide
PubChem CID134843479
Molecular FormulaC7H8BrCu-2
Molecular Weight235.59 g/mol
Exact Mass233.91
IUPAC Namebenzene;bromocopper;carbanide
SMILES[CH3-].[Cu]Br.[c-]1ccccc1
InChIInChI=1S/C6H5.CH3.BrH.Cu/c1-2-4-6-5-3-1;;;/h1-5H;1H3;1H;/q2*-1;;+1/p-1
InChIKeyHNUFKTKKKPNVQY-UHFFFAOYSA-M
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.59
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;bromocopper;carbanide?
The IUPAC name of benzene;bromocopper;carbanide (CID 134843479) is benzene;bromocopper;carbanide.
What is the SMILES notation for benzene;bromocopper;carbanide?
The canonical SMILES for benzene;bromocopper;carbanide is [CH3-].[Cu]Br.[c-]1ccccc1.
What is the InChIKey of benzene;bromocopper;carbanide?
The InChIKey is HNUFKTKKKPNVQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.CH3.BrH.Cu/c1-2-4-6-5-3-1;;;/h1-5H;1H3;1H;/q2*-1;;+1/p-1.
What are the key properties of benzene;bromocopper;carbanide?
benzene;bromocopper;carbanide has a molecular weight of 235.59 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bromocopper;carbanide is sourced from PubChem (CID 134843479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).