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2,2,2-trichloro-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide

2,2,2-trichloro-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide

Formula: C17H13Cl3N2O2

SMILES: CCC1=CC=C2OC(=NC2=C1)C1=CC=CC(NC(=O)C(Cl)(Cl)Cl)=C1

IUPAC: 2,2,2-trichloro-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide

InChI: InChI=1S/C17H13Cl3N2O2/c1-2-10-6-7-14-13(8-10)22-15(24-14)11-4-3-5-12(9-11)21-16(23)17(18,19)20/h3-9H,2H2,1H3,(H,21,23)

Composition: C (53.22%), H (3.42%), Cl (27.72%), N (7.30%), O (8.34%)

Molar Mass: 383.65

Atom Count: 37

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 382.0042608
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DCYXKQDVVZBPQD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 107.84
Topological Polar Surface Area 55.13
Polarizability 38.11
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H13Cl3N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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