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3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide

3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide

CAS: 81761-28-6

Formula: C11H10F3NO2

SMILES: CC(=O)CC(=O)NC1=C(C=CC=C1)C(F)(F)F

IUPAC: 3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide

InChI: InChI=1S/C11H10F3NO2/c1-7(16)6-10(17)15-9-5-3-2-4-8(9)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)

Composition: C (53.88%), H (4.11%), F (23.24%), N (5.71%), O (13.05%)

Molar Mass: 245.201

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 245.066363055
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VATRWWPJWVCZTA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.79
Topological Polar Surface Area 46.17
Polarizability 20.21
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 81761-28-6 $51.35-$113.62$51.35$63.37$86.31$113.62
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