Phenol, 2-nitro-4-[[[4-(2-phenyldiazenyl)phenyl]imino]methyl]-, 1-benzoate
Basic information
- CAS
349575-14-0- Standard SMILES
O=C(Oc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1[N+](=O)[O-])c1ccccc1- InChIKey
MSUFUYOIFIDPBC-UHFFFAOYSA-N- Molecular formula
- C26H18N4O4
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 450.13280507
Names & identifiers
- Preferred name
- Phenol, 2-nitro-4-[[[4-(2-phenyldiazenyl)phenyl]imino]methyl]-, 1-benzoate
- IUPAC
- [2-nitro-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] benzoate
Names & synonyms
DTXSID301039451AKOS001733666Phenol, 2-nitro-4-[[[4-(2-phenyldiazenyl)phenyl]imino]methyl]-, 1-benzoate349575-14-02-nitro-4-({[4-(phenyldiazenyl)phenyl]imino}methyl)phenyl benzoate2-NITRO-4-[(E)-({4-[(1Z)-2-PHENYLDIAZEN-1-YL]PHENYL}IMINO)METHYL]PHENYL BENZOATE
Database identifiers
- CAS
349575-14-0- PubChem CID
- 3640862
- DTXSID
DTXSID301039451
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 717
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Compound notes
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