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2-[3-(4-tert-butylbenzamido)-4-chlorobenzamido]benzoic acid

2-[3-(4-tert-butylbenzamido)-4-chlorobenzamido]benzoic acid

Formula: C25H23ClN2O4

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1Cl)C(=O)NC1=CC=CC=C1C(O)=O

IUPAC: 2-[3-(4-tert-butylbenzamido)-4-chlorobenzamido]benzoic acid

InChI: InChI=1S/C25H23ClN2O4/c1-25(2,3)17-11-8-15(9-12-17)22(29)28-21-14-16(10-13-19(21)26)23(30)27-20-7-5-4-6-18(20)24(31)32/h4-14H,1-3H3,(H,27,30)(H,28,29)(H,31,32)

Composition: C (66.59%), H (5.14%), Cl (7.86%), N (6.21%), O (14.19%)

Molar Mass: 450.92

Atom Count: 55

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 450.1346349
Formal Charge 0
FSP3 0.16
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey HVFZIMWQWSRPBO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 127.85
Topological Polar Surface Area 95.5
Polarizability 47.05
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H23ClN2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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