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ethyl 3,3,3-trifluoro-2-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)propanoate

ethyl 3,3,3-trifluoro-2-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)propanoate

Formula: C13H12F6N2O3

SMILES: CCOC(=O)C(NC(=O)NC1=CC=CC=C1C(F)(F)F)C(F)(F)F

IUPAC: ethyl 3,3,3-trifluoro-2-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)propanoate

InChI: InChI=1/C13H12F6N2O3/c1-2-24-10(22)9(13(17,18)19)21-11(23)20-8-6-4-3-5-7(8)12(14,15)16/h3-6,9H,2H2,1H3,(H2,20,21,23)

Composition: C (43.59%), H (3.38%), F (31.82%), N (7.82%), O (13.40%)

Molar Mass: 358.24

Atom Count: 36

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 358.075211232
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FSFPPYSFHMWIMY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.27
Topological Polar Surface Area 67.43
Polarizability 25.57
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H12F6N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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