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

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

CAS: 942474-47-7

Formula: C15H20N2O4

SMILES: CCOC(=O)C1=CC(=C(C=C1)N1CCC(C)CC1)[N+]([O-])=O

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

InChI: InChI=1S/C15H20N2O4/c1-3-21-15(18)12-4-5-13(14(10-12)17(19)20)16-8-6-11(2)7-9-16/h4-5,10-11H,3,6-9H2,1-2H3

Composition: C (61.63%), H (6.90%), N (9.58%), O (21.89%)

Molar Mass: 292.335

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 292.142307132
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey FVPWNXJDSFAPEO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.27
Topological Polar Surface Area 72.68
Polarizability 29.95
Ring Count 2
Rotatable Bond Count 5

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95% <2 Days 942474-47-7 $186.09$186.09
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