1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene

C13H8Br2N2 — CID 71358489

IUPAC1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene
SMILES[N-]=[N+]=C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2N2/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8H
InChIKeyWOODXAVEURRDJL-UHFFFAOYSA-N
MW352.03 g/mol
LogP4.28
Rot. Bonds2

About 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene

1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene (PubChem CID 71358489) has the molecular formula C13H8Br2N2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene
PubChem CID71358489
Molecular FormulaC13H8Br2N2
Molecular Weight352.03 g/mol
Exact Mass349.91
IUPAC Name1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene
SMILES[N-]=[N+]=C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H8Br2N2/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8H
InChIKeyWOODXAVEURRDJL-UHFFFAOYSA-N
XLogP4.28
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene?
The IUPAC name of 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene (CID 71358489) is 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene.
What is the SMILES notation for 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene?
The canonical SMILES for 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene is [N-]=[N+]=C(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene?
The InChIKey is WOODXAVEURRDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8H.
What are the key properties of 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene?
1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene has a molecular weight of 352.03 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(4-bromophenyl)-diazomethyl]benzene is sourced from PubChem (CID 71358489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).