4-bromo-1-(2-chlorophenyl)-2-nitrobenzene

C12H7BrClNO2 — CID 147124448

IUPAC4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)ccc1-c1ccccc1Cl
InChIInChI=1S/C12H7BrClNO2/c13-8-5-6-10(12(7-8)15(16)17)9-3-1-2-4-11(9)14/h1-7H
InChIKeyBOZTUMCPDGYIRQ-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.68
Rot. Bonds2

About 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene

4-bromo-1-(2-chlorophenyl)-2-nitrobenzene (PubChem CID 147124448) has the molecular formula C12H7BrClNO2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene.

Molecular Properties

Compound Name4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
PubChem CID147124448
Molecular FormulaC12H7BrClNO2
Molecular Weight312.55 g/mol
Exact Mass310.93
IUPAC Name4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)ccc1-c1ccccc1Cl
InChIInChI=1S/C12H7BrClNO2/c13-8-5-6-10(12(7-8)15(16)17)9-3-1-2-4-11(9)14/h1-7H
InChIKeyBOZTUMCPDGYIRQ-UHFFFAOYSA-N
XLogP4.68
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.68
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'}

Analyze 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
21-(4-bromo-2-nitrophenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 138728383
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene
CID 157150544
3-(4-bromo-2-nitrophenyl)-1H-indene
CID 159888839
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
2-(4-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 58501439
1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 114382734
3-(2-chlorophenyl)-1-ethenyl-4-nitropyrrole
CID 66550171
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
4-bromo-1-(2-chlorophenyl)-2-methylsulfinylbenzene
CID 155328601
2-(4-bromo-2-nitrophenyl)-1-phenylindole
CID 118197296

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene?
The IUPAC name of 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene (CID 147124448) is 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene.
What is the SMILES notation for 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene?
The canonical SMILES for 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene is O=[N+]([O-])c1cc(Br)ccc1-c1ccccc1Cl.
What is the InChIKey of 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene?
The InChIKey is BOZTUMCPDGYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO2/c13-8-5-6-10(12(7-8)15(16)17)9-3-1-2-4-11(9)14/h1-7H.
What are the key properties of 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene?
4-bromo-1-(2-chlorophenyl)-2-nitrobenzene has a molecular weight of 312.55 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-chlorophenyl)-2-nitrobenzene is sourced from PubChem (CID 147124448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).