CID 87755101

C11H10AsBrO2 — CID 87755101

IUPAC—
SMILESCCOC(=O)C=Cc1ccc(Br)cc1[As]
InChIInChI=1S/C11H10AsBrO2/c1-2-15-11(14)6-4-8-3-5-9(13)7-10(8)12/h3-7H,2H2,1H3
InChIKeyDRCZXZWNTHLIPL-UHFFFAOYSA-N
MW329.03 g/mol
LogP1.82
Rot. Bonds3

About CID 87755101

CID 87755101 (PubChem CID 87755101) has the molecular formula C11H10AsBrO2 and a molecular weight of 329.03 g/mol.

Molecular Properties

Compound NameCID 87755101
PubChem CID87755101
Molecular FormulaC11H10AsBrO2
Molecular Weight329.03 g/mol
Exact Mass327.91
IUPAC Name—
SMILESCCOC(=O)C=Cc1ccc(Br)cc1[As]
InChIInChI=1S/C11H10AsBrO2/c1-2-15-11(14)6-4-8-3-5-9(13)7-10(8)12/h3-7H,2H2,1H3
InChIKeyDRCZXZWNTHLIPL-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.03
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87755101?
The IUPAC name of CID 87755101 (CID 87755101) is not available.
What is the SMILES notation for CID 87755101?
The canonical SMILES for CID 87755101 is CCOC(=O)C=Cc1ccc(Br)cc1[As].
What is the InChIKey of CID 87755101?
The InChIKey is DRCZXZWNTHLIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10AsBrO2/c1-2-15-11(14)6-4-8-3-5-9(13)7-10(8)12/h3-7H,2H2,1H3.
What are the key properties of CID 87755101?
CID 87755101 has a molecular weight of 329.03 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87755101 is sourced from PubChem (CID 87755101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).