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(2Z)-3-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-2-(2,4-dichlorophenyl)prop-2-enenitrile

(2Z)-3-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-2-(2,4-dichlorophenyl)prop-2-enenitrile

Formula: C24H18BrCl2NO2

SMILES: COC1=CC(C=C(/C#N)C2=CC=C(Cl)C=C2Cl)=C(Br)C=C1OCC1=CC=C(C)C=C1

IUPAC: (2Z)-3-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-2-(2,4-dichlorophenyl)prop-2-enenitrile

InChI: InChI=1S/C24H18BrCl2NO2/c1-15-3-5-16(6-4-15)14-30-24-12-21(25)17(10-23(24)29-2)9-18(13-28)20-8-7-19(26)11-22(20)27/h3-12H,14H2,1-2H3/b18-9+

Composition: C (57.28%), H (3.61%), Br (15.88%), Cl (14.09%), N (2.78%), O (6.36%)

Molar Mass: 503.22

Atom Count: 48

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 500.989797
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey MYGLZFAOSMQEMZ-GIJQJNRQSA-N
Lipinski's Rule of Five
Molar Refractivity 126.3
Topological Polar Surface Area 42.25
Polarizability 47.91
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H18BrCl2NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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