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Home > Fluorides > 893747-85-8
893747-85-8 | 1-(2-Fluorobenzyl);piperazin-2-one
CAS No: 893747-85-8 Catalog No: AG003WN8 MDL No:MFCD06803970
Product Description
Catalog Number:
AG003WN8
Chemical Name:
1-(2-Fluorobenzyl);piperazin-2-one
CAS Number:
893747-85-8
Molecular Formula:
C11H13FN2O
Molecular Weight:
208.2321
MDL Number:
MFCD06803970
IUPAC Name:
1-[(2-fluorophenyl)methyl]piperazin-2-one
InChI:
InChI=1S/C11H13FN2O/c12-10-4-2-1-3-9(10)8-14-6-5-13-7-11(14)15/h1-4,13H,5-8H2
InChI Key:
VDTMKYQLLVZDID-UHFFFAOYSA-N
SMILES:
O=C1CNCCN1Cc1ccccc1F
Properties
Complexity:
235
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:
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:
0.7
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