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Home > Aldehydes > 1694588-92-5
1694588-92-5 | 3-fluoro-5-(piperazin-1-yl)benzaldehyde
CAS No: 1694588-92-5 Catalog No: AG01C8S1 MDL No:MFCD31443225
Product Description
Catalog Number:
AG01C8S1
Chemical Name:
3-fluoro-5-(piperazin-1-yl)benzaldehyde
CAS Number:
1694588-92-5
Molecular Formula:
C11H13FN2O
Molecular Weight:
208.2321
MDL Number:
MFCD31443225
IUPAC Name:
3-fluoro-5-piperazin-1-ylbenzaldehyde
InChI:
InChI=1S/C11H13FN2O/c12-10-5-9(8-15)6-11(7-10)14-3-1-13-2-4-14/h5-8,13H,1-4H2
InChI Key:
IDXOBLPFSCEPLE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)cc(c1)N1CCNCC1
Properties
Complexity:
219
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.236g/mol
Monoisotopic Mass:
208.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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