Basic information
- CAS
6625-42-9- Standard SMILES
CC(CCC(=O)O)(c1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
JOBJOQOHDXIKBU-UHFFFAOYSA-N- Molecular formula
- C31H26N4O10
- Average molar mass
- 614.6 g/mol
- Monoisotopic mass
- 614.16489304
Names & identifiers
- Preferred name
- 4,4-Bis(4-{[(4-nitrophenyl)carbamoyl]oxy}phenyl)pentanoic acid
- IUPAC
- 4,4-bis[4-[(4-nitrophenyl)carbamoyloxy]phenyl]pentanoic acid
Names & synonyms
6625-42-94,4-bis(4-{[(4-nitrophenyl)carbamoyl]oxy}phenyl)pentanoic acid4,4-bis[4-[(4-nitrophenyl)carbamoyloxy]phenyl]pentanoic acidNSC52310DTXSID30287726NSC-52310DS-005123
Database identifiers
- CAS
6625-42-9- PubChem CID
- 243085
- DTXSID
DTXSID30287726
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 960
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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