Basic information
- CAS
37994-74-4- Standard SMILES
Clc1ccc2c(c1)C1=NCCCN1c1cc(Cl)ccc1-2- InChIKey
UWZPUFRMUXCHCQ-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2N2
- Average molar mass
- 303.2 g/mol
- Monoisotopic mass
- 302.0377538
Names & identifiers
- Preferred name
- 7,12-dichloro-3,4-dihydro-2H-pyrimido[1,2-f]phenanthridine
- IUPAC
- 7,12-dichloro-3,4-dihydro-2H-pyrimido[1,2-f]phenanthridine
Names & synonyms
37994-74-47,12-dichloro-3,4-dihydro-2H-pyrimido[1,2-f]phenanthridineNSC165970DTXSID00304499NSC-165970
Database identifiers
- CAS
37994-74-4- PubChem CID
- 296124
- DTXSID
DTXSID00304499
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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