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N-(1,1,1-trifluoro-3-nitropropan-2-yl)benzamide

N-(1,1,1-trifluoro-3-nitropropan-2-yl)benzamide

Formula: C10H9F3N2O3

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

IUPAC: N-(1,1,1-trifluoro-3-nitropropan-2-yl)benzamide

InChI: InChI=1/C10H9F3N2O3/c11-10(12,13)8(6-15(17)18)14-9(16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,16)

Composition: C (45.81%), H (3.46%), F (21.74%), N (10.68%), O (18.31%)

Molar Mass: 262.188

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 262.056526647
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SQCRVJCAYRAQPE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.77
Topological Polar Surface Area 72.24
Polarizability 20.22
Ring Count 1
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C10H9F3N2O3 $476.28$476.28
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