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83823-55-6 | Piperazine,1-(3,4-dihydro-2H-1-benzopyran-3-yl)-4-(4-fluorophenyl)-
CAS No: 83823-55-6 Catalog No: AG004W0V MDL No:
Product Description
Catalog Number:
AG004W0V
Chemical Name:
Piperazine,1-(3,4-dihydro-2H-1-benzopyran-3-yl)-4-(4-fluorophenyl)-
CAS Number:
83823-55-6
Molecular Formula:
C19H21FN2O
Molecular Weight:
312.3812
IUPAC Name:
1-(3,4-dihydro-2H-chromen-3-yl)-4-(4-fluorophenyl)piperazine
InChI:
InChI=1S/C19H21FN2O/c20-16-5-7-17(8-6-16)21-9-11-22(12-10-21)18-13-15-3-1-2-4-19(15)23-14-18/h1-8,18H,9-14H2
InChI Key:
FCHSCTPHZXIDKX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CCN(CC1)C1COc2c(C1)cccc2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.164g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.388g/mol
Monoisotopic Mass:
312.164g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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