Home Nitros Piperidine, 1-[2-nitro-4-(trifluoromethyl)phenyl]-

Piperidine, 1-[2-nitro-4-(trifluoromethyl)phenyl]-

CAS No.:
1692-79-1
Catalog Number:
AG001YKF
Molecular Formula:
C12H13F3N2O2
Molecular Weight:
274.2390
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Product Description
Catalog Number:
AG001YKF
Chemical Name:
Piperidine, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
CAS Number:
1692-79-1
Molecular Formula:
C12H13F3N2O2
Molecular Weight:
274.2390
MDL Number:
MFCD00052908
IUPAC Name:
1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
InChI:
InChI=1S/C12H13F3N2O2/c13-12(14,15)9-4-5-10(11(8-9)17(18)19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChI Key:
ZKCJWUWQXSPDEO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCCCC1)C(F)(F)F
Properties
Complexity:
324  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties