1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene

C18H11BrFNO2 — CID 175706731

IUPAC1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene
SMILESO=[N+]([O-])c1c(Br)ccc(-c2ccccc2-c2ccccc2)c1F
InChIInChI=1S/C18H11BrFNO2/c19-16-11-10-15(17(20)18(16)21(22)23)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H
InChIKeyBOTVZBWTEBNBPF-UHFFFAOYSA-N
MW372.19 g/mol
LogP5.83
Rot. Bonds3

About 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene

1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene (PubChem CID 175706731) has the molecular formula C18H11BrFNO2 and a molecular weight of 372.19 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene
PubChem CID175706731
Molecular FormulaC18H11BrFNO2
Molecular Weight372.19 g/mol
Exact Mass371.00
IUPAC Name1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene
SMILESO=[N+]([O-])c1c(Br)ccc(-c2ccccc2-c2ccccc2)c1F
InChIInChI=1S/C18H11BrFNO2/c19-16-11-10-15(17(20)18(16)21(22)23)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H
InChIKeyBOTVZBWTEBNBPF-UHFFFAOYSA-N
XLogP5.83
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.19
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene?
The IUPAC name of 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene (CID 175706731) is 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene.
What is the SMILES notation for 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene?
The canonical SMILES for 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene is O=[N+]([O-])c1c(Br)ccc(-c2ccccc2-c2ccccc2)c1F.
What is the InChIKey of 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene?
The InChIKey is BOTVZBWTEBNBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrFNO2/c19-16-11-10-15(17(20)18(16)21(22)23)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene?
1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene has a molecular weight of 372.19 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-2-nitro-4-(2-phenylphenyl)benzene is sourced from PubChem (CID 175706731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).