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4-(4-chlorophenyl)-3-[(4-ethoxyphenyl)carbamoyl]butanoic acid

4-(4-chlorophenyl)-3-[(4-ethoxyphenyl)carbamoyl]butanoic acid

Formula: C19H20ClNO4

SMILES: CCOC1=CC=C(NC(=O)C(CC(O)=O)CC2=CC=C(Cl)C=C2)C=C1

IUPAC: 4-(4-chlorophenyl)-3-[(4-ethoxyphenyl)carbamoyl]butanoic acid

InChI: InChI=1/C19H20ClNO4/c1-2-25-17-9-7-16(8-10-17)21-19(24)14(12-18(22)23)11-13-3-5-15(20)6-4-13/h3-10,14H,2,11-12H2,1H3,(H,21,24)(H,22,23)

Composition: C (63.07%), H (5.57%), Cl (9.80%), N (3.87%), O (17.69%)

Molar Mass: 361.82

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 361.1080858
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey JKDKRCMGADXLPC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.1
Topological Polar Surface Area 75.63
Polarizability 37.09
Ring Count 2
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H20ClNO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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