4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid

C14H8Cl2N2O4 — CID 21276031

IUPAC4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccc(C(=O)O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H8Cl2N2O4/c15-11-5-7(1-3-9(11)13(19)20)17-18-8-2-4-10(14(21)22)12(16)6-8/h1-6H,(H,19,20)(H,21,22)/b18-17+
InChIKeyWQWVCZLDVCFVFX-ISLYRVAYSA-N
MW339.13 g/mol
LogP4.81
Rot. Bonds4

About 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid

4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid (PubChem CID 21276031) has the molecular formula C14H8Cl2N2O4 and a molecular weight of 339.13 g/mol. Its IUPAC name is 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid
PubChem CID21276031
Molecular FormulaC14H8Cl2N2O4
Molecular Weight339.13 g/mol
Exact Mass337.99
IUPAC Name4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccc(C(=O)O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H8Cl2N2O4/c15-11-5-7(1-3-9(11)13(19)20)17-18-8-2-4-10(14(21)22)12(16)6-8/h1-6H,(H,19,20)(H,21,22)/b18-17+
InChIKeyWQWVCZLDVCFVFX-ISLYRVAYSA-N
XLogP4.81
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764240
5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid
CID 136794336
4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
CID 102029732
4-[(4-carboxy-3-chlorophenyl)methyl]-2-chlorobenzoic acid
CID 19980721
4-bromooxycarbonyl-2-chlorobenzoic acid
CID 174368712
2-chloro-4-hydroxysulfanylbenzoic acid
CID 145483656
2-chloro-4-phenylbenzoic acid
CID 21487426
CID 166085292
CID 166085292
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
CID 159908135
4-[(3-carboxy-4-hydroxy-5-methylphenyl)diazenyl]phthalic acid
CID 174516752
2-chloro-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]benzoic acid
CID 114009467

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid?
The IUPAC name of 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid (CID 21276031) is 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid.
What is the SMILES notation for 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid?
The canonical SMILES for 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid is O=C(O)c1ccc(/N=N/c2ccc(C(=O)O)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid?
The InChIKey is WQWVCZLDVCFVFX-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O4/c15-11-5-7(1-3-9(11)13(19)20)17-18-8-2-4-10(14(21)22)12(16)6-8/h1-6H,(H,19,20)(H,21,22)/b18-17+.
What are the key properties of 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid?
4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid has a molecular weight of 339.13 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carboxy-3-chlorophenyl)diazenyl]-2-chlorobenzoic acid is sourced from PubChem (CID 21276031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).