4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol

C12H7Cl2N3O4 — CID 135986983

IUPAC4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1cc(Cl)cc(Cl)c1/N=N/c1ccc(O)cc1O
InChIInChI=1S/C12H7Cl2N3O4/c13-6-3-8(14)12(10(4-6)17(20)21)16-15-9-2-1-7(18)5-11(9)19/h1-5,18-19H/b16-15+
InChIKeyRBRMTDONEYCVSM-FOCLMDBBSA-N
MW328.11 g/mol
LogP4.73
Rot. Bonds3

About 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol

4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol (PubChem CID 135986983) has the molecular formula C12H7Cl2N3O4 and a molecular weight of 328.11 g/mol. Its IUPAC name is 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol
PubChem CID135986983
Molecular FormulaC12H7Cl2N3O4
Molecular Weight328.11 g/mol
Exact Mass326.98
IUPAC Name4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1cc(Cl)cc(Cl)c1/N=N/c1ccc(O)cc1O
InChIInChI=1S/C12H7Cl2N3O4/c13-6-3-8(14)12(10(4-6)17(20)21)16-15-9-2-1-7(18)5-11(9)19/h1-5,18-19H/b16-15+
InChIKeyRBRMTDONEYCVSM-FOCLMDBBSA-N
XLogP4.73
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol
CID 135554972
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
CID 177400193
CID 177400193
1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 135571121
4-[(6-chloro-3-methyl-2,4-dinitrophenyl)diazenyl]-5-methyl-2-propan-2-ylphenol
CID 165365293
2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol
CID 135554929
(2,4-dichloro-6-nitrophenyl)methyl hydrogen carbonate
CID 54049022
4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonate
CID 3343252
N,N'-bis(4-chloro-2-nitrophenyl)methanediimine
CID 19830143
4-chloro-2,6-dinitrophenolate
CID 36690453
2-[(4-chloro-2-nitrophenyl)diazenyl]-6-[3-[3-[(4-chloro-2-nitrophenyl)diazenyl]-2-hydroxy-5-(2-hydroxyethyl)phenyl]propyl]-4-(2-hydroxyethyl)phenol
CID 139809284
(E)-3-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 177489426

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol?
The IUPAC name of 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol (CID 135986983) is 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol?
The canonical SMILES for 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol is O=[N+]([O-])c1cc(Cl)cc(Cl)c1/N=N/c1ccc(O)cc1O.
What is the InChIKey of 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol?
The InChIKey is RBRMTDONEYCVSM-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H7Cl2N3O4/c13-6-3-8(14)12(10(4-6)17(20)21)16-15-9-2-1-7(18)5-11(9)19/h1-5,18-19H/b16-15+.
What are the key properties of 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol?
4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol has a molecular weight of 328.11 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol is sourced from PubChem (CID 135986983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).