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N-(4-bromo-5-chloro-2-methylphenyl)-2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}propanamide

N-(4-bromo-5-chloro-2-methylphenyl)-2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}propanamide

Formula: C19H18BrClN2O3

SMILES: CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)NC1=CC(Cl)=C(Br)C=C1C

IUPAC: N-(4-bromo-5-chloro-2-methylphenyl)-2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}propanamide

InChI: InChI=1/C19H18BrClN2O3/c1-8-5-12(20)13(21)7-14(8)22-17(24)9(2)23-18(25)15-10-3-4-11(6-10)16(15)19(23)26/h3-5,7,9-11,15-16H,6H2,1-2H3,(H,22,24)

Composition: C (52.14%), H (4.15%), Br (18.25%), Cl (8.10%), N (6.40%), O (10.97%)

Molar Mass: 437.72

Atom Count: 44

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 436.018933
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FJFUIZSRDOWKSF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.86
Topological Polar Surface Area 66.48
Polarizability 39.04
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H18BrClN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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