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methyl 2-[(3-nitropyridin-4-yl)oxy]acetate

methyl 2-[(3-nitropyridin-4-yl)oxy]acetate

CAS: 592552-16-4

Formula: C8H8N2O5

SMILES: COC(=O)COC1=CC=NC=C1[N+]([O-])=O

IUPAC: methyl 2-[(3-nitropyridin-4-yl)oxy]acetate

InChI: InChI=1S/C8H8N2O5/c1-14-8(11)5-15-7-2-3-9-4-6(7)10(12)13/h2-4H,5H2,1H3

Composition: C (45.29%), H (3.80%), N (13.20%), O (37.70%)

Molar Mass: 212.161

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.043321366
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey NVQXJMOTEOWLAQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.54
Topological Polar Surface Area 91.56
Polarizability 18.47
Ring Count 1
Rotatable Bond Count 5

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