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Home > Fluorides > 942474-49-9
942474-49-9 | 1-(2-hydroxyethyl)-4-(2-fluoro-4-nitrophenyl)piperazine
CAS No: 942474-49-9 Catalog No: AG01EZFU MDL No:
Product Description
Catalog Number:
AG01EZFU
Chemical Name:
1-(2-hydroxyethyl)-4-(2-fluoro-4-nitrophenyl)piperazine
CAS Number:
942474-49-9
Molecular Formula:
C12H16FN3O3
Molecular Weight:
269.2721
IUPAC Name:
2-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]ethanol
InChI:
InChI=1S/C12H16FN3O3/c13-11-9-10(16(18)19)1-2-12(11)15-5-3-14(4-6-15)7-8-17/h1-2,9,17H,3-8H2
InChI Key:
ABLMDFNXFVHPPM-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ccc(cc1F)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.118g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.276g/mol
Monoisotopic Mass:
269.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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