CID 87727172

C8H7AsCl2 — CID 87727172

IUPAC—
SMILESCC([As])c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7AsCl2/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5H,1H3
InChIKeyWFFDZCOJGYGFCZ-UHFFFAOYSA-N
MW248.97 g/mol
LogP3.22
Rot. Bonds1

About CID 87727172

CID 87727172 (PubChem CID 87727172) has the molecular formula C8H7AsCl2 and a molecular weight of 248.97 g/mol.

Molecular Properties

Compound NameCID 87727172
PubChem CID87727172
Molecular FormulaC8H7AsCl2
Molecular Weight248.97 g/mol
Exact Mass247.91
IUPAC Name—
SMILESCC([As])c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7AsCl2/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5H,1H3
InChIKeyWFFDZCOJGYGFCZ-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.97
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 87727172 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 130604698
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 82082656
[(3,4-dichlorophenyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194109
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
3-(3,4-dichlorophenyl)-2-methylbutanal
CID 123198585
(3,4-dichlorophenyl)-(methylamino)methanethiol
CID 116954570

Frequently Asked Questions

What is the IUPAC name of CID 87727172?
The IUPAC name of CID 87727172 (CID 87727172) is not available.
What is the SMILES notation for CID 87727172?
The canonical SMILES for CID 87727172 is CC([As])c1ccc(Cl)c(Cl)c1.
What is the InChIKey of CID 87727172?
The InChIKey is WFFDZCOJGYGFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7AsCl2/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5H,1H3.
What are the key properties of CID 87727172?
CID 87727172 has a molecular weight of 248.97 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87727172 is sourced from PubChem (CID 87727172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).