CID 135905425
CAS No.:
1001162-09-9
M. Wt:
310.75100
M. Fa:
C15H16ClFN2O2
InChI Key:
BHSURSZDNKZQGB-ALUHPYBCSA-N
Names and Identifiers of CID 135905425
CAS Number |
1001162-09-9 |
|---|---|
IUPAC Name |
2-[(2Z)-2-fluoro-2-piperidin-3-ylideneethyl]isoindole-1,3-dione;hydrochloride |
InChI |
InChI=1S/C15H15FN2O2.ClH/c16-13(10-4-3-7-17-8-10)9-18-14(19)11-5-1-2-6-12(11)15(18)20;/h1-2,5-6,17H,3-4,7-9H2;1H/b13-10-; |
InChIKey |
BHSURSZDNKZQGB-ALUHPYBCSA-N |
Canonical SMILES |
C1CC(=C(CN2C(=O)C3=CC=CC=C3C2=O)F)CNC1.Cl |
Isomeric SMILES |
C1C/C(=C(\CN2C(=O)C3=CC=CC=C3C2=O)/F)/CNC1.Cl |
Physical and chemical properties of CID 135905425
Exact Mass |
310.08800 |
|---|---|
LogP |
2.95830 |
Molecular Formula |
C15H16ClFN2O2 |
Molecular Weight |
310.75100 |
PSA |
49.41000 |
