(3-bromophenyl)-(4-nitrophenyl)diazene

C12H8BrN3O2 — CID 71382481

IUPAC(3-bromophenyl)-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2cccc(Br)c2)cc1
InChIInChI=1S/C12H8BrN3O2/c13-9-2-1-3-11(8-9)15-14-10-4-6-12(7-5-10)16(17)18/h1-8H/b15-14+
InChIKeyJLNORYVHSFOQJJ-CCEZHUSRSA-N
MW306.12 g/mol
LogP4.77
Rot. Bonds3

About (3-bromophenyl)-(4-nitrophenyl)diazene

(3-bromophenyl)-(4-nitrophenyl)diazene (PubChem CID 71382481) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is (3-bromophenyl)-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name(3-bromophenyl)-(4-nitrophenyl)diazene
PubChem CID71382481
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name(3-bromophenyl)-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2cccc(Br)c2)cc1
InChIInChI=1S/C12H8BrN3O2/c13-9-2-1-3-11(8-9)15-14-10-4-6-12(7-5-10)16(17)18/h1-8H/b15-14+
InChIKeyJLNORYVHSFOQJJ-CCEZHUSRSA-N
XLogP4.77
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl)-phenyldiazene
CID 17222
bis(3-nitrophenyl)diazene
CID 10858607
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
1-bromo-3-nitrobenzene;zinc
CID 159421870
7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
CID 101304417
methyl-(4-nitrophenyl)diazene
CID 20760343
(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 86246481
3-[(3-nitrophenyl)diazenyl]aniline
CID 54370732
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde
CID 155663799
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 177492854

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4-nitrophenyl)diazene?
The IUPAC name of (3-bromophenyl)-(4-nitrophenyl)diazene (CID 71382481) is (3-bromophenyl)-(4-nitrophenyl)diazene.
What is the SMILES notation for (3-bromophenyl)-(4-nitrophenyl)diazene?
The canonical SMILES for (3-bromophenyl)-(4-nitrophenyl)diazene is O=[N+]([O-])c1ccc(/N=N/c2cccc(Br)c2)cc1.
What is the InChIKey of (3-bromophenyl)-(4-nitrophenyl)diazene?
The InChIKey is JLNORYVHSFOQJJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c13-9-2-1-3-11(8-9)15-14-10-4-6-12(7-5-10)16(17)18/h1-8H/b15-14+.
What are the key properties of (3-bromophenyl)-(4-nitrophenyl)diazene?
(3-bromophenyl)-(4-nitrophenyl)diazene has a molecular weight of 306.12 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-nitrophenyl)diazene is sourced from PubChem (CID 71382481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).