CID 25021416

C12H7AsClO — CID 25021416

IUPAC—
SMILESClc1cccc2c1[As]c1ccccc1O2
InChIInChI=1S/C12H7AsClO/c14-9-5-3-7-11-12(9)13-8-4-1-2-6-10(8)15-11/h1-7H
InChIKeyUHGNARJEJDKEBE-UHFFFAOYSA-N
MW277.56 g/mol
LogP2.10
Rot. Bonds

About CID 25021416

CID 25021416 (PubChem CID 25021416) has the molecular formula C12H7AsClO and a molecular weight of 277.56 g/mol.

Molecular Properties

Compound NameCID 25021416
PubChem CID25021416
Molecular FormulaC12H7AsClO
Molecular Weight277.56 g/mol
Exact Mass276.94
IUPAC Name—
SMILESClc1cccc2c1[As]c1ccccc1O2
InChIInChI=1S/C12H7AsClO/c14-9-5-3-7-11-12(9)13-8-4-1-2-6-10(8)15-11/h1-7H
InChIKeyUHGNARJEJDKEBE-UHFFFAOYSA-N
XLogP2.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.56
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 25021416?
The IUPAC name of CID 25021416 (CID 25021416) is not available.
What is the SMILES notation for CID 25021416?
The canonical SMILES for CID 25021416 is Clc1cccc2c1[As]c1ccccc1O2.
What is the InChIKey of CID 25021416?
The InChIKey is UHGNARJEJDKEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7AsClO/c14-9-5-3-7-11-12(9)13-8-4-1-2-6-10(8)15-11/h1-7H.
What are the key properties of CID 25021416?
CID 25021416 has a molecular weight of 277.56 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25021416 is sourced from PubChem (CID 25021416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).