Basic information
- CAS
141209-18-9- Standard SMILES
O=C(O)CN(CC(=O)O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
MYGHMDOOHQOWMS-UHFFFAOYSA-N- Molecular formula
- C16H14N4O6
- Average molar mass
- 358.31 g/mol
- Monoisotopic mass
- 358.09133418
Names & identifiers
- Preferred name
- 2,2'-({4-[(E)-(4-Nitrophenyl)diazenyl]phenyl}azanediyl)diacetic acid
- IUPAC
- 2-[N-(carboxymethyl)-4-[(4-nitrophenyl)diazenyl]anilino]acetic acid
Names & synonyms
141209-18-9DTXSID107090122,2'-({4-[(E)-(4-Nitrophenyl)diazenyl]phenyl}azanediyl)diacetic acid
Database identifiers
- CAS
141209-18-9- PubChem CID
- 54097635
- DTXSID
DTXSID10709012- Nikkaji
- J1.837.907D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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