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ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

CAS: 1000018-71-2

Formula: C14H19N3O4

SMILES: CCOC(=O)C1=CC(=C(C=C1)N1CCN(C)CC1)[N+]([O-])=O

IUPAC: ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

InChI: InChI=1S/C14H19N3O4/c1-3-21-14(18)11-4-5-12(13(10-11)17(19)20)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3

Composition: C (57.33%), H (6.53%), N (14.33%), O (21.82%)

Molar Mass: 293.323

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 293.137556104
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey SHIZECNQEQRLRD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.63
Topological Polar Surface Area 75.92
Polarizability 29.64
Ring Count 2
Rotatable Bond Count 5

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95% <2 Days 1000018-71-2 $129.41$129.41
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