3-Phenylcinnoline
Basic information
- CAS
10604-22-5- Standard SMILES
c1ccc(-c2cc3ccccc3nn2)cc1- InChIKey
AJUMVVYEUXGKQU-UHFFFAOYSA-N- Molecular formula
- C14H10N2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.08439833
Names & identifiers
- Preferred name
- 3-Phenylcinnoline
- IUPAC
- 3-phenylcinnoline
- English name
- 3-Phenylcinnoline
- Molecular formula
- C14H10N2
- Molecular weight
- 206.24
Names & synonyms
3-PhenylcinnolineCinnoline, 3-phenyl-DTXSID3073391RefChem:281792DTXCID4033001AJUMVVYEUXGKQU-UHFFFAOYSA-N10604-22-5phenyl-cinnolineMaybridge3_004163SCHEMBL314905SCHEMBL3146084SCHEMBL3923106
Show more names
HMS1442N05AKOS024259564CCG-246328IDI1_015550
Database identifiers
- CAS
10604-22-5- PubChem CID
- 82763
- DTXSID
DTXSID3073391- Nikkaji
- J81.527F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 382 · 382.0±40.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- pka
- 2.39 · 2.39±0.10(Predicted)
- EPA Substance Registry System
- 3 · Cinnoline, 3-phenyl- (10604-22-5)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…