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N-[bis(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylbenzamide

N-[bis(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylbenzamide

Formula: C25H25Br2NO5

SMILES: COC1=CC(Br)=C(C=C1OC)C(NC(=O)C1=CC=C(C)C=C1)C1=CC(OC)=C(OC)C=C1Br

IUPAC: N-[bis(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylbenzamide

InChI: InChI=1S/C25H25Br2NO5/c1-14-6-8-15(9-7-14)25(29)28-24(16-10-20(30-2)22(32-4)12-18(16)26)17-11-21(31-3)23(33-5)13-19(17)27/h6-13,24H,1-5H3,(H,28,29)

Composition: C (51.84%), H (4.35%), Br (27.59%), N (2.42%), O (13.81%)

Molar Mass: 579.285

Atom Count: 58

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 577.009949
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey AHPSAVAOOUQDTA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 135.07
Topological Polar Surface Area 66.02
Polarizability 51.65
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H25Br2NO5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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