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Home > Aldehydes > 831170-44-6
831170-44-6 | 1-Piperazinecarboxaldehyde, 4-(4-fluorophenyl)-
CAS No: 831170-44-6 Catalog No: AG004WRB MDL No:
Product Description
Catalog Number:
AG004WRB
Chemical Name:
1-Piperazinecarboxaldehyde, 4-(4-fluorophenyl)-
CAS Number:
831170-44-6
Molecular Formula:
C11H13FN2O
Molecular Weight:
208.2321
IUPAC Name:
4-(4-fluorophenyl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C11H13FN2O/c12-10-1-3-11(4-2-10)14-7-5-13(9-15)6-8-14/h1-4,9H,5-8H2
InChI Key:
XJCOKPDDWLDIFV-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)c1ccc(cc1)F
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.236g/mol
Monoisotopic Mass:
208.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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