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

C12H7Br2NO2 — CID 58316117

IUPAC1-bromo-4-(4-bromophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(-c2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C12H7Br2NO2/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)15(16)17/h1-7H
InChIKeyIMOSVMQKZJUSLL-UHFFFAOYSA-N
MW357.00 g/mol
LogP4.79
Rot. Bonds2

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

1-bromo-4-(4-bromophenyl)-2-nitrobenzene (PubChem CID 58316117) has the molecular formula C12H7Br2NO2 and a molecular weight of 357.00 g/mol. Its IUPAC name is 1-bromo-4-(4-bromophenyl)-2-nitrobenzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromophenyl)-2-nitrobenzene
PubChem CID58316117
Molecular FormulaC12H7Br2NO2
Molecular Weight357.00 g/mol
Exact Mass354.88
IUPAC Name1-bromo-4-(4-bromophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(-c2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C12H7Br2NO2/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)15(16)17/h1-7H
InChIKeyIMOSVMQKZJUSLL-UHFFFAOYSA-N
XLogP4.79
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.00
LogP ≤ 54.79
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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Related Compounds

1-bromo-4-[4-[[4-(4-bromo-3-nitrophenyl)phenyl]methyl]phenyl]-2-nitrobenzene
CID 57260820
2-bromo-1-nitro-4-(4-nitrophenyl)benzene
CID 71385035
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine
CID 60781321
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium
CID 88778659
1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
CID 4180599
4-bromo-3-nitrobenzaldehyde
CID 808792
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-nitroaniline
CID 79767910
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
CID 6334188
CID 6334188
4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide
CID 2776589
1-bromo-2,4,5-trinitrobenzene
CID 13333986

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromophenyl)-2-nitrobenzene?
The IUPAC name of 1-bromo-4-(4-bromophenyl)-2-nitrobenzene (CID 58316117) is 1-bromo-4-(4-bromophenyl)-2-nitrobenzene.
What is the SMILES notation for 1-bromo-4-(4-bromophenyl)-2-nitrobenzene?
The canonical SMILES for 1-bromo-4-(4-bromophenyl)-2-nitrobenzene is O=[N+]([O-])c1cc(-c2ccc(Br)cc2)ccc1Br.
What is the InChIKey of 1-bromo-4-(4-bromophenyl)-2-nitrobenzene?
The InChIKey is IMOSVMQKZJUSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2NO2/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)15(16)17/h1-7H.
What are the key properties of 1-bromo-4-(4-bromophenyl)-2-nitrobenzene?
1-bromo-4-(4-bromophenyl)-2-nitrobenzene has a molecular weight of 357.00 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromophenyl)-2-nitrobenzene is sourced from PubChem (CID 58316117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).