Text Search
Structure Search

ethyl 4-[(2E)-2-chloro-3-phenylprop-2-enamido]benzoate

ethyl 4-[(2E)-2-chloro-3-phenylprop-2-enamido]benzoate

Formula: C18H16ClNO3

SMILES: CCOC(=O)C1=CC=C(NC(=O)C(Cl)=C/C2=CC=CC=C2)C=C1

IUPAC: ethyl 4-[(2E)-2-chloro-3-phenylprop-2-enamido]benzoate

InChI: InChI=1S/C18H16ClNO3/c1-2-23-18(22)14-8-10-15(11-9-14)20-17(21)16(19)12-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,21)/b16-12+

Composition: C (65.56%), H (4.89%), Cl (10.75%), N (4.25%), O (14.55%)

Molar Mass: 329.78

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 329.0818711
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AXLAIGLUQMKDLK-FOWTUZBSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.9
Topological Polar Surface Area 55.4
Polarizability 34.5
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H16ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote