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2-[(4-chlorophenyl)methyl]-3-[(4-nitrophenyl)carbamoyl]propanoic acid

2-[(4-chlorophenyl)methyl]-3-[(4-nitrophenyl)carbamoyl]propanoic acid

Formula: C17H15ClN2O5

SMILES: OC(=O)C(CC(=O)NC1=CC=C(C=C1)[N+]([O-])=O)CC1=CC=C(Cl)C=C1

IUPAC: 2-[(4-chlorophenyl)methyl]-3-[(4-nitrophenyl)carbamoyl]propanoic acid

InChI: InChI=1/C17H15ClN2O5/c18-13-3-1-11(2-4-13)9-12(17(22)23)10-16(21)19-14-5-7-15(8-6-14)20(24)25/h1-8,12H,9-10H2,(H,19,21)(H,22,23)

Composition: C (56.29%), H (4.17%), Cl (9.77%), N (7.72%), O (22.05%)

Molar Mass: 362.77

Atom Count: 40

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 362.0669493
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey YKHSFKYHHLUMCK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.21
Topological Polar Surface Area 109.54
Polarizability 34.67
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H15ClN2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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