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Home > Fluorides > 392237-31-9
392237-31-9 | 1-(4-(trifluoromethyl)-2-nitrophenyl)-4-methylpiperidine
CAS No: 392237-31-9 Catalog No: AG01EVSB MDL No:MFCD09027734
Product Description
Catalog Number:
AG01EVSB
Chemical Name:
1-(4-(trifluoromethyl)-2-nitrophenyl)-4-methylpiperidine
CAS Number:
392237-31-9
Molecular Formula:
C13H15F3N2O2
Molecular Weight:
288.2656
MDL Number:
MFCD09027734
IUPAC Name:
4-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
InChI:
InChI=1S/C13H15F3N2O2/c1-9-4-6-17(7-5-9)11-3-2-10(13(14,15)16)8-12(11)18(19)20/h2-3,8-9H,4-7H2,1H3
InChI Key:
JIKFZZJFHJXBMV-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.27g/mol
Monoisotopic Mass:
288.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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