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5-chloro-N-(4-nitrophenyl)pentanamide

5-chloro-N-(4-nitrophenyl)pentanamide

CAS: 1039914-85-6

Formula: C11H13ClN2O3

SMILES: [O-][N+](=O)C1=CC=C(NC(=O)CCCCCl)C=C1

IUPAC: 5-chloro-N-(4-nitrophenyl)pentanamide

InChI: InChI=1S/C11H13ClN2O3/c12-8-2-1-3-11(15)13-9-4-6-10(7-5-9)14(16)17/h4-7H,1-3,8H2,(H,13,15)

Composition: C (51.47%), H (5.11%), Cl (13.81%), N (10.91%), O (18.70%)

Molar Mass: 256.69

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 256.06147
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FCEDLTRFGDDBLV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.05
Topological Polar Surface Area 72.24
Polarizability 24.5
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1039914-85-6 $21.44-$181.58$21.44$52.96$181.58
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