4-[[4-[Bis(2-chloroethyl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
Basic information
- CAS
65624-40-0- Standard SMILES
O=C(O)c1cc2ccccc2c(N=Nc2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c1O- InChIKey
KPKWLCRDWSCLAQ-UHFFFAOYSA-N- Molecular formula
- C21H19Cl2N3O5S
- Average molar mass
- 496.4 g/mol
- Monoisotopic mass
- 495.0422473
Names & identifiers
- Preferred name
- 4-[[4-[Bis(2-chloroethyl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
- IUPAC
- 4-[[4-[bis(2-chloroethyl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
Names & synonyms
NSC17134165624-40-0NSC-171341
Database identifiers
- CAS
65624-40-0- PubChem CID
- 298963
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 749
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Related reactions
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Compound notes
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