Basic information
- CAS
6967-05-1- Standard SMILES
O=c1oc2cc(N=Cc3ccccc3Cl)ccc2c2ccccc12- InChIKey
ZKALLZGPPRUEMZ-UHFFFAOYSA-N- Molecular formula
- C20H12ClNO2
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.0556563
Overview
3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one is a member of coumarins.
Names & identifiers
- Preferred name
- 3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one
- IUPAC
- 3-[(2-chlorophenyl)methylideneamino]benzo[c]chromen-6-one
Names & synonyms
3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one6967-05-13-[(2-chlorophenyl)methylideneamino]benzo[c]chromen-6-oneNCIOpen2_008524SCHEMBL4389517SCHEMBL4389521CHEMBL2005414CHEBI:79475DTXSID90290352NSC68249NSC-68249NCI60_029508
Show more names
Q271485503-{(E)-[(2-Chlorophenyl)methylidene]amino}-6H-dibenzo[b,d]pyran-6-one
Database identifiers
- CAS
6967-05-1- PubChem CID
- 249677
- DTXSID
DTXSID90290352- ChEMBL
CHEMBL2005414- ChEBI
CHEBI:79475- Nikkaji
- J2.790.782B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…