Basic information
- CAS
7770-44-7- Standard SMILES
O=C(Cl)c1cc2ccccc2c2c(=O)c3ccc4cc5ccccc5cc4c3[nH]c12- InChIKey
UWWJBWHILBDJCO-UHFFFAOYSA-N- Molecular formula
- C26H14ClNO2
- Average molar mass
- 407.8 g/mol
- Monoisotopic mass
- 407.0713064
Names & identifiers
- Preferred name
- 15-Oxo-26-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene-24-carbonyl chloride
- IUPAC
- 15-oxo-26-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene-24-carbonyl chloride
Names & synonyms
NSC4011157770-44-7DTXSID80331208NSC-4011155-Oxo-5,14-dihydrobenzo[a]naphtho[2,3-h]acridine-15-carbonyl chloride
Database identifiers
- CAS
7770-44-7- PubChem CID
- 436366
- DTXSID
DTXSID80331208
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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