Basic information
- CAS
62234-98-4- Standard SMILES
NC1=C(c2cccc(Cl)c2)C(=O)CC12C=CC(=O)C=C2- InChIKey
LOUWXZGHPPJCMD-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO2
- Average molar mass
- 285.72 g/mol
- Monoisotopic mass
- 285.0556563
Names & identifiers
- Preferred name
- 4-Amino-3-(3-chlorophenyl)spiro[4.5]deca-3,6,9-triene-2,8-dione
- IUPAC
- 4-amino-3-(3-chlorophenyl)spiro[4.5]deca-3,6,9-triene-2,8-dione
Names & synonyms
62234-98-4NSC2909454-amino-3-(3-chlorophenyl)spiro[4.5]deca-3,6,9-triene-2,8-dioneDTXSID00315000NSC-290945
Database identifiers
- CAS
62234-98-4- PubChem CID
- 324698
- DTXSID
DTXSID00315000
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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