Basic information
- CAS
5454-41-1- Standard SMILES
CC(=O)Nc1ccc2c(c1)C(=Nc1ccc(C(=O)O)cc1)c1ccccc1-2- InChIKey
GWEBVBWBASDHFZ-UHFFFAOYSA-N- Molecular formula
- C22H16N2O3
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.11609238
Names & identifiers
- Preferred name
- 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid
- IUPAC
- 4-[(2-acetamidofluoren-9-ylidene)amino]benzoic acid
- English name
- 4-[(2-acetamidofluoren-9-ylidene)amino]benzoic acid
- Molecular formula
- C22H16N2O3
- Molecular weight
- 356.37
Names & synonyms
NSC231735454-41-1NSC-23173NCIStruc1_001249NCIStruc2_001157CHEMBL1410175DTXSID502818224-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acidNCI23173CCG-36879NCGC00013293NCGC00013293-02
Show more names
4-[(2-acetamidofluoren-9-ylidene)amino]benzoic acidBenzoic acid, 4-[[2-(acetylamino)-9H-fluoren-9-ylidene]amino]-
NCGC00096410-01NCI60_0018794-[(E)-(2-Acetamido-9H-fluoren-9-ylidene)amino]benzoic acid
Database identifiers
- CAS
5454-41-1- PubChem CID
- 229459
- DTXSID
DTXSID50281822- ChEMBL
CHEMBL1410175
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 609
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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