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2-[4-(2,4-dichlorophenoxy)butanamido]-4,5-dimethoxybenzoic acid

2-[4-(2,4-dichlorophenoxy)butanamido]-4,5-dimethoxybenzoic acid

Formula: C19H19Cl2NO6

SMILES: COC1=CC(NC(=O)CCCOC2=CC=C(Cl)C=C2Cl)=C(C=C1OC)C(O)=O

IUPAC: 2-[4-(2,4-dichlorophenoxy)butanamido]-4,5-dimethoxybenzoic acid

InChI: InChI=1S/C19H19Cl2NO6/c1-26-16-9-12(19(24)25)14(10-17(16)27-2)22-18(23)4-3-7-28-15-6-5-11(20)8-13(15)21/h5-6,8-10H,3-4,7H2,1-2H3,(H,22,23)(H,24,25)

Composition: C (53.29%), H (4.47%), Cl (16.56%), N (3.27%), O (22.41%)

Molar Mass: 428.26

Atom Count: 47

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 427.0589427
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey PVDCMTQEWPOSLT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.13
Topological Polar Surface Area 94.09
Polarizability 40.44
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H19Cl2NO6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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