5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)

C32H19Cl2CrN4O10S2 — CID 170853587

IUPAC5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)
SMILESO=S(=O)(O)c1ccc2c(/N=N/c3cc(Cl)ccc3O)c(O)ccc2c1.O=S(=O)([O-])c1ccc2c(/N=N/c3cc(Cl)ccc3[O-])c([O-])ccc2c1.[Cr+3]
InChIInChI=1S/2C16H11ClN2O5S.Cr/c2*17-10-2-6-14(20)13(8-10)18-19-16-12-4-3-11(25(22,23)24)7-9(12)1-5-15(16)21;/h2*1-8,20-21H,(H,22,23,24);/q;;+3/p-3/b2*19-18+;
InChIKeyDLQAIGOOOMSKLP-VFUQPONKSA-K
MW806.56 g/mol
LogP7.52
Rot. Bonds6

About 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)

5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+) (PubChem CID 170853587) has the molecular formula C32H19Cl2CrN4O10S2 and a molecular weight of 806.56 g/mol. Its IUPAC name is 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+).

Molecular Properties

Compound Name5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)
PubChem CID170853587
Molecular FormulaC32H19Cl2CrN4O10S2
Molecular Weight806.56 g/mol
Exact Mass804.93
IUPAC Name5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)
SMILESO=S(=O)(O)c1ccc2c(/N=N/c3cc(Cl)ccc3O)c(O)ccc2c1.O=S(=O)([O-])c1ccc2c(/N=N/c3cc(Cl)ccc3[O-])c([O-])ccc2c1.[Cr+3]
InChIInChI=1S/2C16H11ClN2O5S.Cr/c2*17-10-2-6-14(20)13(8-10)18-19-16-12-4-3-11(25(22,23)24)7-9(12)1-5-15(16)21;/h2*1-8,20-21H,(H,22,23,24);/q;;+3/p-3/b2*19-18+;
InChIKeyDLQAIGOOOMSKLP-VFUQPONKSA-K
XLogP7.52
TPSA247.59 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500806.56
LogP ≤ 57.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+);hydroxide
CID 165360712
4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136857527
SODIUM 5-(4-CL-PH-AZO)-6-HO-NAPHTHALENE-2-SULFONATE(ACID ORANGE 31 C.I. 15995)
CID 137228287
CID 137235039
CID 137235039
sodium 4-[[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonate
CID 136502141
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
CID 136682992
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867
5-[(4-chloro-5-ethyl-2-sulfophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 135565739
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
5-[(4-chlorophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;5-methyl-6-oxidonaphthalene-2-sulfonate
CID 90816614
sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
CID 135801975
6-hydroxy-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 137281246

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)?
The IUPAC name of 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+) (CID 170853587) is 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+).
What is the SMILES notation for 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)?
The canonical SMILES for 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+) is O=S(=O)(O)c1ccc2c(/N=N/c3cc(Cl)ccc3O)c(O)ccc2c1.O=S(=O)([O-])c1ccc2c(/N=N/c3cc(Cl)ccc3[O-])c([O-])ccc2c1.[Cr+3].
What is the InChIKey of 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)?
The InChIKey is DLQAIGOOOMSKLP-VFUQPONKSA-K. The full InChI is InChI=1S/2C16H11ClN2O5S.Cr/c2*17-10-2-6-14(20)13(8-10)18-19-16-12-4-3-11(25(22,23)24)7-9(12)1-5-15(16)21;/h2*1-8,20-21H,(H,22,23,24);/q;;+3/p-3/b2*19-18+;.
What are the key properties of 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+)?
5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+) has a molecular weight of 806.56 g/mol, XLogP of 7.52, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-hydroxyphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid;5-[(5-chloro-2-oxidophenyl)diazenyl]-6-oxidonaphthalene-2-sulfonate;chromium(3+) is sourced from PubChem (CID 170853587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).