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N-[(3-chlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide

N-[(3-chlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide

CAS: 1164495-66-2

Formula: C19H19ClFNO2

SMILES: FCCCOC1=CC=C(C=CC(=O)NCC2=CC=CC(Cl)=C2)C=C1

IUPAC: N-[(3-chlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide

InChI: InChI=1S/C19H19ClFNO2/c20-17-4-1-3-16(13-17)14-22-19(23)10-7-15-5-8-18(9-6-15)24-12-2-11-21/h1,3-10,13H,2,11-12,14H2,(H,22,23)

Composition: C (65.61%), H (5.51%), Cl (10.19%), F (5.46%), N (4.03%), O (9.20%)

Molar Mass: 347.81

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 347.1088347
Formal Charge 0
FSP3 0.21
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IGAJFINVVBTZTE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.12
Topological Polar Surface Area 38.33
Polarizability 36
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1164495-66-2 $51.35-$524.40$51.35$63.37$86.31$524.40
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