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Home > Fluorides > 329064-15-5
329064-15-5 | 1-(4-(trifluoromethyl)-2-nitrophenyl)piperidine-4-carboxamide
CAS No: 329064-15-5 Catalog No: AG01EUYB MDL No:
Product Description
Catalog Number:
AG01EUYB
Chemical Name:
1-(4-(trifluoromethyl)-2-nitrophenyl)piperidine-4-carboxamide
CAS Number:
329064-15-5
Molecular Formula:
C13H14F3N3O3
Molecular Weight:
317.2638
IUPAC Name:
1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
InChI:
InChI=1S/C13H14F3N3O3/c14-13(15,16)9-1-2-10(11(7-9)19(21)22)18-5-3-8(4-6-18)12(17)20/h1-2,7-8H,3-6H2,(H2,17,20)
InChI Key:
XDLPTRXKGJMEAX-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.268g/mol
Monoisotopic Mass:
317.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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