CID 173172073

C6H10AsBrF6I — CID 173172073

IUPAC—
SMILESBrc1ccc(I)cc1.F.F.F.F.F.F.[As]
InChIInChI=1S/C6H4BrI.As.6FH/c7-5-1-3-6(8)4-2-5;;;;;;;/h1-4H;;6*1H
InChIKeyFLRFMYMXXODJDJ-UHFFFAOYSA-N
MW477.86 g/mol
LogP3.59
Rot. Bonds

About CID 173172073

CID 173172073 (PubChem CID 173172073) has the molecular formula C6H10AsBrF6I and a molecular weight of 477.86 g/mol.

Molecular Properties

Compound NameCID 173172073
PubChem CID173172073
Molecular FormulaC6H10AsBrF6I
Molecular Weight477.86 g/mol
Exact Mass476.81
IUPAC Name—
SMILESBrc1ccc(I)cc1.F.F.F.F.F.F.[As]
InChIInChI=1S/C6H4BrI.As.6FH/c7-5-1-3-6(8)4-2-5;;;;;;;/h1-4H;;6*1H
InChIKeyFLRFMYMXXODJDJ-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.86
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-bromo-4-[(4-iodophenyl)methylsulfanyl]benzene
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CID 63520066
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N-[(4-bromophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43494506
4-[bis(4-aminophenyl)-(4-iodophenyl)methyl]aniline;1-[bis(4-bromophenyl)-(4-iodophenyl)methyl]-4-bromobenzene;4-[bis(4-hydroxyphenyl)-(4-iodophenyl)methyl]phenol;4-[tris(4-aminophenyl)methyl]phenol
CID 157353054

Frequently Asked Questions

What is the IUPAC name of CID 173172073?
The IUPAC name of CID 173172073 (CID 173172073) is not available.
What is the SMILES notation for CID 173172073?
The canonical SMILES for CID 173172073 is Brc1ccc(I)cc1.F.F.F.F.F.F.[As].
What is the InChIKey of CID 173172073?
The InChIKey is FLRFMYMXXODJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrI.As.6FH/c7-5-1-3-6(8)4-2-5;;;;;;;/h1-4H;;6*1H.
What are the key properties of CID 173172073?
CID 173172073 has a molecular weight of 477.86 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173172073 is sourced from PubChem (CID 173172073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).