3-[2-[3-[[(4,6-Dichloro-2-pyrimidinyl)oxy]methyl]-4-methylphenyl]diazenyl]-4-hydroxy-1,7-naphthalenedisulfonic acid
Basic information
- CAS
2064-90-6- Standard SMILES
Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)ccc3c2O)cc1COc1nc(Cl)cc(Cl)n1- InChIKey
JOUJQMYYKZAZIG-UHFFFAOYSA-N- Molecular formula
- C22H16Cl2N4O8S2
- Average molar mass
- 599.4 g/mol
- Monoisotopic mass
- 597.9786612
Names & identifiers
- Preferred name
- 3-[2-[3-[[(4,6-Dichloro-2-pyrimidinyl)oxy]methyl]-4-methylphenyl]diazenyl]-4-hydroxy-1,7-naphthalenedisulfonic acid
- IUPAC
- 3-[[3-[(4,6-dichloropyrimidin-2-yl)oxymethyl]-4-methylphenyl]diazenyl]-4-hydroxynaphthalene-1,7-disulfonic acid
Names & synonyms
DTXSID2011066812064-90-63-[2-[3-[[(4,6-Dichloro-2-pyrimidinyl)oxy]methyl]-4-methylphenyl]diazenyl]-4-hydroxy-1,7-naphthalenedisulfonic acid
Database identifiers
- CAS
2064-90-6- PubChem CID
- 165367247
- DTXSID
DTXSID201106681
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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