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

C12H8ClN3O4 — CID 135554972

IUPAC4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1cc(Cl)ccc1/N=N/c1ccc(O)cc1O
InChIInChI=1S/C12H8ClN3O4/c13-7-1-3-9(11(5-7)16(19)20)14-15-10-4-2-8(17)6-12(10)18/h1-6,17-18H/b15-14+
InChIKeyAGONQPRWSIKHPM-CCEZHUSRSA-N
MW293.67 g/mol
LogP4.07
Rot. Bonds3

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

4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol (PubChem CID 135554972) has the molecular formula C12H8ClN3O4 and a molecular weight of 293.67 g/mol. Its IUPAC name is 4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol
PubChem CID135554972
Molecular FormulaC12H8ClN3O4
Molecular Weight293.67 g/mol
Exact Mass293.02
IUPAC Name4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1cc(Cl)ccc1/N=N/c1ccc(O)cc1O
InChIInChI=1S/C12H8ClN3O4/c13-7-1-3-9(11(5-7)16(19)20)14-15-10-4-2-8(17)6-12(10)18/h1-6,17-18H/b15-14+
InChIKeyAGONQPRWSIKHPM-CCEZHUSRSA-N
XLogP4.07
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 54.07
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-[(2,4-dichloro-6-nitrophenyl)diazenyl]benzene-1,3-diol
CID 135986983
2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol
CID 135554929
N,N'-bis(4-chloro-2-nitrophenyl)methanediimine
CID 19830143
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
4-chloro-1-isothiocyanato-2-nitrobenzene
CID 13266752
4-tert-butyl-2-[(4-chloro-2-nitrophenyl)diazenyl]-6-phenylphenol
CID 135738326
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
2-tert-butyl-6-[(4-chloro-2-nitrophenyl)diazenyl]-4-(2-methylbutan-2-yl)phenol
CID 137295417
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
4-chloro-2-nitroaniline
CID 6979
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
CID 58697900
CID 58697900

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol (CID 135554972) is 4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol is O=[N+]([O-])c1cc(Cl)ccc1/N=N/c1ccc(O)cc1O.
What is the InChIKey of 4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol?
The InChIKey is AGONQPRWSIKHPM-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H8ClN3O4/c13-7-1-3-9(11(5-7)16(19)20)14-15-10-4-2-8(17)6-12(10)18/h1-6,17-18H/b15-14+.
What are the key properties of 4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol?
4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol has a molecular weight of 293.67 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol is sourced from PubChem (CID 135554972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).