5-bromo-2-(4-nitrosophenyl)-1-benzofuran

C14H8BrNO2 — CID 88578119

IUPAC5-bromo-2-(4-nitrosophenyl)-1-benzofuran
SMILESO=Nc1ccc(-c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C14H8BrNO2/c15-11-3-6-13-10(7-11)8-14(18-13)9-1-4-12(16-17)5-2-9/h1-8H
InChIKeyLNMOLJUVHYYDOL-UHFFFAOYSA-N
MW302.13 g/mol
LogP5.26
Rot. Bonds2

About 5-bromo-2-(4-nitrosophenyl)-1-benzofuran

5-bromo-2-(4-nitrosophenyl)-1-benzofuran (PubChem CID 88578119) has the molecular formula C14H8BrNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is 5-bromo-2-(4-nitrosophenyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-(4-nitrosophenyl)-1-benzofuran
PubChem CID88578119
Molecular FormulaC14H8BrNO2
Molecular Weight302.13 g/mol
Exact Mass300.97
IUPAC Name5-bromo-2-(4-nitrosophenyl)-1-benzofuran
SMILESO=Nc1ccc(-c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C14H8BrNO2/c15-11-3-6-13-10(7-11)8-14(18-13)9-1-4-12(16-17)5-2-9/h1-8H
InChIKeyLNMOLJUVHYYDOL-UHFFFAOYSA-N
XLogP5.26
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.13
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-nitrosophenyl)-1-benzofuran?
The IUPAC name of 5-bromo-2-(4-nitrosophenyl)-1-benzofuran (CID 88578119) is 5-bromo-2-(4-nitrosophenyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-2-(4-nitrosophenyl)-1-benzofuran?
The canonical SMILES for 5-bromo-2-(4-nitrosophenyl)-1-benzofuran is O=Nc1ccc(-c2cc3cc(Br)ccc3o2)cc1.
What is the InChIKey of 5-bromo-2-(4-nitrosophenyl)-1-benzofuran?
The InChIKey is LNMOLJUVHYYDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2/c15-11-3-6-13-10(7-11)8-14(18-13)9-1-4-12(16-17)5-2-9/h1-8H.
What are the key properties of 5-bromo-2-(4-nitrosophenyl)-1-benzofuran?
5-bromo-2-(4-nitrosophenyl)-1-benzofuran has a molecular weight of 302.13 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-nitrosophenyl)-1-benzofuran is sourced from PubChem (CID 88578119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).