4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol

C12H7BrClN3O3 — CID 3537149

IUPAC4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1cc(/N=N/c2cc(Br)ccc2O)ccc1Cl
InChIInChI=1S/C12H7BrClN3O3/c13-7-1-4-12(18)10(5-7)16-15-8-2-3-9(14)11(6-8)17(19)20/h1-6,18H/b16-15+
InChIKeyUUTRCFAYPBAFKO-FOCLMDBBSA-N
MW356.56 g/mol
LogP5.13
Rot. Bonds3

About 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol

4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol (PubChem CID 3537149) has the molecular formula C12H7BrClN3O3 and a molecular weight of 356.56 g/mol. Its IUPAC name is 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol
PubChem CID3537149
Molecular FormulaC12H7BrClN3O3
Molecular Weight356.56 g/mol
Exact Mass354.94
IUPAC Name4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1cc(/N=N/c2cc(Br)ccc2O)ccc1Cl
InChIInChI=1S/C12H7BrClN3O3/c13-7-1-4-12(18)10(5-7)16-15-8-2-3-9(14)11(6-8)17(19)20/h1-6,18H/b16-15+
InChIKeyUUTRCFAYPBAFKO-FOCLMDBBSA-N
XLogP5.13
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-2-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol
CID 136597366
4-bromo-2-[(4-chloro-3-nitroanilino)methyl]phenol
CID 107737746
2-bromo-4-nitrobenzene-1,3-diol
CID 86810433
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
(4-chloro-3-nitrophenyl)-[4-(4,6-dinitrobenzotriazol-2-yl)-2-nitrophenyl]diazene
CID 54119228
1-chloro-4-[(2,4-dibromophenoxy)methyl]-2-nitrobenzene
CID 64719307
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 135571121
2-[(4-chloro-3-nitrophenyl)methylideneamino]-4-[[3-[(4-chloro-3-nitrophenyl)methylideneamino]-4-hydroxyphenyl]methyl]phenol
CID 171980289
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol?
The IUPAC name of 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol (CID 3537149) is 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol is O=[N+]([O-])c1cc(/N=N/c2cc(Br)ccc2O)ccc1Cl.
What is the InChIKey of 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol?
The InChIKey is UUTRCFAYPBAFKO-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H7BrClN3O3/c13-7-1-4-12(18)10(5-7)16-15-8-2-3-9(14)11(6-8)17(19)20/h1-6,18H/b16-15+.
What are the key properties of 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol?
4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol has a molecular weight of 356.56 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 3537149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).