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(2E)-N-(4-bromo-2,6-dimethylphenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

(2E)-N-(4-bromo-2,6-dimethylphenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Formula: C21H17BrClNO2

SMILES: CC1=CC(Br)=CC(C)=C1NC(=O)C=CC1=CC=C(O1)C1=CC=C(Cl)C=C1

IUPAC: (2E)-N-(4-bromo-2,6-dimethylphenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

InChI: InChI=1S/C21H17BrClNO2/c1-13-11-16(22)12-14(2)21(13)24-20(25)10-8-18-7-9-19(26-18)15-3-5-17(23)6-4-15/h3-12H,1-2H3,(H,24,25)/b10-8+

Composition: C (58.56%), H (3.98%), Br (18.55%), Cl (8.23%), N (3.25%), O (7.43%)

Molar Mass: 430.73

Atom Count: 43

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 429.013119
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RPXHRGQQBWIMJR-CSKARUKUSA-N
Lipinski's Rule of Five
Molar Refractivity 111.25
Topological Polar Surface Area 42.24
Polarizability 42.3
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H17BrClNO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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