Basic information
- CAS
76986-88-4- Standard SMILES
O=C(CCCCCC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1F)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1F- InChIKey
RNHCMQMUCJEJEF-UHFFFAOYSA-N- Molecular formula
- C19H16F2N6O10
- Average molar mass
- 526.4 g/mol
- Monoisotopic mass
- 526.08959705
Overview
bivalent affinity label
Names & identifiers
- Preferred name
- Bis(dinitrofluorobenzene)pimelic acid amide
- IUPAC
- N,N'-bis(2-fluoro-3,5-dinitrophenyl)heptanediamide
- English name
- bis(dinitrofluorobenzene)pimelic acid amide
- Molecular weight
- 0
Names & synonyms
Bis(dinitrofluorobenzene)pimelic acid amideBis-dnfbpaa76986-88-4DTXSID80227778Heptanediamide, N,N'-bis(2-fluoro-3,5-dinitrophenyl)-RefChem:120217DTXCID30150269N,N'-bis(2-fluoro-3,5-dinitrophenyl)heptanediamideN~1~,N~7~-Bis(2-fluoro-3,5-dinitrophenyl)heptanediamide
Database identifiers
- CAS
76986-88-4- PubChem CID
- 196483
- DTXSID
DTXSID80227778
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 241 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 819
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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