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3-(benzylcarbamoyl)-3-[(4-chlorophenyl)methyl]propanoic acid

3-(benzylcarbamoyl)-3-[(4-chlorophenyl)methyl]propanoic acid

Formula: C18H18ClNO3

SMILES: OC(=O)CC(CC1=CC=C(Cl)C=C1)C(=O)NCC1=CC=CC=C1

IUPAC: 3-(benzylcarbamoyl)-3-[(4-chlorophenyl)methyl]propanoic acid

InChI: InChI=1/C18H18ClNO3/c19-16-8-6-13(7-9-16)10-15(11-17(21)22)18(23)20-12-14-4-2-1-3-5-14/h1-9,15H,10-12H2,(H,20,23)(H,21,22)

Composition: C (65.16%), H (5.47%), Cl (10.68%), N (4.22%), O (14.47%)

Molar Mass: 331.8

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 331.0975211
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HBQYMPYUVWEVGD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.94
Topological Polar Surface Area 66.4
Polarizability 34.56
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H18ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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