1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

CAS: 329064-15-5

Formula: C13H14F3N3O3

SMILES: NC(=O)C1CCN(CC1)C1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: 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)

Composition: C (49.21%), H (4.45%), F (17.96%), N (13.24%), O (15.13%)

Molar Mass: 317.268

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	317.098725812
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XDLPTRXKGJMEAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.98
Topological Polar Surface Area	89.47
Polarizability	26.23
Ring Count	2
Rotatable Bond Count	4

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	329064-15-5		$129.41$129.41

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<16 Days	329064-15-5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00