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854044-35-2 | 1-(5-Fluoro-2-nitrophenyl)piperidine
CAS No: 854044-35-2 Catalog No: AG01EXSR MDL No:
Product Description
Catalog Number:
AG01EXSR
Chemical Name:
1-(5-Fluoro-2-nitrophenyl)piperidine
CAS Number:
854044-35-2
Molecular Formula:
C11H13FN2O2
Molecular Weight:
224.2315
IUPAC Name:
1-(5-fluoro-2-nitrophenyl)piperidine
InChI:
InChI=1S/C11H13FN2O2/c12-9-4-5-10(14(15)16)11(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChI Key:
BWMFLDMFJWXGOC-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)N1CCCCC1)[N+](=O)[O-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.235g/mol
Monoisotopic Mass:
224.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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