Basic information
- CAS
4497-69-2- Standard SMILES
O=C1C(Cl)=C(NCc2ccccc2)C(=O)c2ccccc21- InChIKey
XKNFBQCDFMZPPY-UHFFFAOYSA-N- Molecular formula
- C17H12ClNO2
- Average molar mass
- 297.7 g/mol
- Monoisotopic mass
- 297.0556563
Names & identifiers
- Preferred name
- 2-(Benzylamino)-3-chloronaphthoquinone
- IUPAC
- 2-(benzylamino)-3-chloronaphthalene-1,4-dione
Names & synonyms
4497-69-22-(benzylamino)-3-chloronaphthoquinoneDTXSID70285226RefChem:253215DTXCID502363772-(benzylamino)-3-chloronaphthalene-1,4-dione2-(benzylamino)-3-chloro-1,4-dihydronaphthalene-1,4-dioneMFCD00169805NSC41105SCHEMBL2466820CHEMBL4291077NSC-41105
Show more names
STK530246AKOS001584054CS-03200213-(benzylamino)-2-chloronaphthalene-1,4-dione9P-9562-(benzylamino)-3-chloro-naphthalene-1,4-dioneAB00085904-01
Database identifiers
- CAS
4497-69-2- PubChem CID
- 237495
- DTXSID
DTXSID70285226- ChEMBL
CHEMBL4291077
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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