4-(3-bromoselenophen-2-yl)-2-chlorophenol

C10H6BrClOSe — CID 175473121

IUPAC4-(3-bromoselenophen-2-yl)-2-chlorophenol
SMILESOc1ccc(-c2[se]ccc2Br)cc1Cl
InChIInChI=1S/C10H6BrClOSe/c11-7-3-4-14-10(7)6-1-2-9(13)8(12)5-6/h1-5,13H
InChIKeyNTKVEUDFHNKBNT-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.53
Rot. Bonds1

About 4-(3-bromoselenophen-2-yl)-2-chlorophenol

4-(3-bromoselenophen-2-yl)-2-chlorophenol (PubChem CID 175473121) has the molecular formula C10H6BrClOSe and a molecular weight of 336.47 g/mol. Its IUPAC name is 4-(3-bromoselenophen-2-yl)-2-chlorophenol.

Molecular Properties

Compound Name4-(3-bromoselenophen-2-yl)-2-chlorophenol
PubChem CID175473121
Molecular FormulaC10H6BrClOSe
Molecular Weight336.47 g/mol
Exact Mass335.85
IUPAC Name4-(3-bromoselenophen-2-yl)-2-chlorophenol
SMILESOc1ccc(-c2[se]ccc2Br)cc1Cl
InChIInChI=1S/C10H6BrClOSe/c11-7-3-4-14-10(7)6-1-2-9(13)8(12)5-6/h1-5,13H
InChIKeyNTKVEUDFHNKBNT-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
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 4-(3-bromoselenophen-2-yl)-2-chlorophenol?
The IUPAC name of 4-(3-bromoselenophen-2-yl)-2-chlorophenol (CID 175473121) is 4-(3-bromoselenophen-2-yl)-2-chlorophenol.
What is the SMILES notation for 4-(3-bromoselenophen-2-yl)-2-chlorophenol?
The canonical SMILES for 4-(3-bromoselenophen-2-yl)-2-chlorophenol is Oc1ccc(-c2[se]ccc2Br)cc1Cl.
What is the InChIKey of 4-(3-bromoselenophen-2-yl)-2-chlorophenol?
The InChIKey is NTKVEUDFHNKBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClOSe/c11-7-3-4-14-10(7)6-1-2-9(13)8(12)5-6/h1-5,13H.
What are the key properties of 4-(3-bromoselenophen-2-yl)-2-chlorophenol?
4-(3-bromoselenophen-2-yl)-2-chlorophenol has a molecular weight of 336.47 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoselenophen-2-yl)-2-chlorophenol is sourced from PubChem (CID 175473121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).