CID 159525408

C6H5AsBr — CID 159525408

IUPAC—
SMILESBrc1ccccc1.[As]
InChIInChI=1S/C6H5Br.As/c7-6-4-2-1-3-5-6;/h1-5H;
InChIKeyMCHXYLUELPIEFY-UHFFFAOYSA-N
MW231.93 g/mol
LogP2.07
Rot. Bonds

About CID 159525408

CID 159525408 (PubChem CID 159525408) has the molecular formula C6H5AsBr and a molecular weight of 231.93 g/mol.

Molecular Properties

Compound NameCID 159525408
PubChem CID159525408
Molecular FormulaC6H5AsBr
Molecular Weight231.93 g/mol
Exact Mass230.88
IUPAC Name—
SMILESBrc1ccccc1.[As]
InChIInChI=1S/C6H5Br.As/c7-6-4-2-1-3-5-6;/h1-5H;
InChIKeyMCHXYLUELPIEFY-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.93
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159525408?
The IUPAC name of CID 159525408 (CID 159525408) is not available.
What is the SMILES notation for CID 159525408?
The canonical SMILES for CID 159525408 is Brc1ccccc1.[As].
What is the InChIKey of CID 159525408?
The InChIKey is MCHXYLUELPIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.As/c7-6-4-2-1-3-5-6;/h1-5H;.
What are the key properties of CID 159525408?
CID 159525408 has a molecular weight of 231.93 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159525408 is sourced from PubChem (CID 159525408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).