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Home > Fluorides > 500015-05-4
500015-05-4 | 1-(4-Nitrophenyl)-3-(trifluoromethyl)piperidine
CAS No: 500015-05-4 Catalog No: AG01EW6M MDL No:MFCD22566322
Product Description
Catalog Number:
AG01EW6M
Chemical Name:
1-(4-Nitrophenyl)-3-(trifluoromethyl)piperidine
CAS Number:
500015-05-4
Molecular Formula:
C12H13F3N2O2
Molecular Weight:
274.2390
MDL Number:
MFCD22566322
IUPAC Name:
1-(4-nitrophenyl)-3-(trifluoromethyl)piperidine
InChI:
InChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-1-7-16(8-9)10-3-5-11(6-4-10)17(18)19/h3-6,9H,1-2,7-8H2
InChI Key:
GOMXWUJOKDHSBV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1CCCC(C1)C(F)(F)F
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.243g/mol
Monoisotopic Mass:
274.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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