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2-benzyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid

2-benzyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid

Formula: C18H16F3NO3

SMILES: OC(=O)C(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)CC1=CC=CC=C1

IUPAC: 2-benzyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid

InChI: InChI=1/C18H16F3NO3/c19-18(20,21)14-7-4-8-15(11-14)22-16(23)10-13(17(24)25)9-12-5-2-1-3-6-12/h1-8,11,13H,9-10H2,(H,22,23)(H,24,25)

Composition: C (61.54%), H (4.59%), F (16.22%), N (3.99%), O (13.66%)

Molar Mass: 351.325

Atom Count: 41

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 351.108227868
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HBUZMFKWRRHFNJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.06
Topological Polar Surface Area 66.4
Polarizability 31.95
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H16F3NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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