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(2Z)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(3-methylphenyl)prop-2-enamide

(2Z)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(3-methylphenyl)prop-2-enamide

Formula: C21H14ClN3O4

SMILES: CC1=CC(NC(=O)C(=C/C2=CC=C(O2)C2=CC=C(C=C2Cl)[N+]([O-])=O)C#N)=CC=C1

IUPAC: (2Z)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(3-methylphenyl)prop-2-enamide

InChI: InChI=1S/C21H14ClN3O4/c1-13-3-2-4-15(9-13)24-21(26)14(12-23)10-17-6-8-20(29-17)18-7-5-16(25(27)28)11-19(18)22/h2-11H,1H3,(H,24,26)/b14-10-

Composition: C (61.85%), H (3.46%), Cl (8.69%), N (10.30%), O (15.69%)

Molar Mass: 407.81

Atom Count: 43

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 407.0672836
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GCOABVHWBIGVRX-UVTDQMKNSA-N
Lipinski's Rule of Five
Molar Refractivity 109.96
Topological Polar Surface Area 109.17
Polarizability 41.43
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H14ClN3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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