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837421-28-0 | 1-(2-Fluoro-4-nitrophenyl)-3-methylpiperazine
CAS No: 837421-28-0 Catalog No: AG01EXLS MDL No:
Product Description
Catalog Number:
AG01EXLS
Chemical Name:
1-(2-Fluoro-4-nitrophenyl)-3-methylpiperazine
CAS Number:
837421-28-0
Molecular Formula:
C11H14FN3O2
Molecular Weight:
239.2462
IUPAC Name:
1-(2-fluoro-4-nitrophenyl)-3-methylpiperazine
InChI:
InChI=1S/C11H14FN3O2/c1-8-7-14(5-4-13-8)11-3-2-9(15(16)17)6-10(11)12/h2-3,6,8,13H,4-5,7H2,1H3
InChI Key:
CPSPDIOZYSRWAZ-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1ccc(cc1F)[N+](=O)[O-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.107g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.25g/mol
Monoisotopic Mass:
239.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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