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1-(3-methoxy-4-nitrophenyl)-4-methylpiperazine

1-(3-methoxy-4-nitrophenyl)-4-methylpiperazine

CAS: 761440-26-0

Formula: C12H17N3O3

SMILES: COC1=CC(=CC=C1[N+]([O-])=O)N1CCN(C)CC1

IUPAC: 1-(3-methoxy-4-nitrophenyl)-4-methylpiperazine

InChI: InChI=1S/C12H17N3O3/c1-13-5-7-14(8-6-13)10-3-4-11(15(16)17)12(9-10)18-2/h3-4,9H,5-8H2,1-2H3

Composition: C (57.36%), H (6.82%), N (16.72%), O (19.10%)

Molar Mass: 251.286

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.126991419
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey MKTFAOFIZMORTQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.32
Topological Polar Surface Area 58.85
Polarizability 25.88
Ring Count 2
Rotatable Bond Count 3

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95% 1 Day 761440-26-0 $117.94-$476.28$117.94$206.39$476.28
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