CID 170843030

C2H7AlBr2 — CID 170843030

IUPAC—
SMILES[Al].[CH2]C(Br)Br.[H][H].[H][H]
InChIInChI=1S/C2H3Br2.Al.2H2/c1-2(3)4;;;/h2H,1H2;;2*1H
InChIKeyRXJBAHHQGOTAGM-UHFFFAOYSA-N
MW217.87 g/mol
LogP2.05
Rot. Bonds

About CID 170843030

CID 170843030 (PubChem CID 170843030) has the molecular formula C2H7AlBr2 and a molecular weight of 217.87 g/mol.

Molecular Properties

Compound NameCID 170843030
PubChem CID170843030
Molecular FormulaC2H7AlBr2
Molecular Weight217.87 g/mol
Exact Mass215.87
IUPAC Name—
SMILES[Al].[CH2]C(Br)Br.[H][H].[H][H]
InChIInChI=1S/C2H3Br2.Al.2H2/c1-2(3)4;;;/h2H,1H2;;2*1H
InChIKeyRXJBAHHQGOTAGM-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.87
LogP ≤ 52.05
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 CID 170843030?
The IUPAC name of CID 170843030 (CID 170843030) is not available.
What is the SMILES notation for CID 170843030?
The canonical SMILES for CID 170843030 is [Al].[CH2]C(Br)Br.[H][H].[H][H].
What is the InChIKey of CID 170843030?
The InChIKey is RXJBAHHQGOTAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Br2.Al.2H2/c1-2(3)4;;;/h2H,1H2;;2*1H.
What are the key properties of CID 170843030?
CID 170843030 has a molecular weight of 217.87 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170843030 is sourced from PubChem (CID 170843030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).