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ethyl 5-nitropyrimidine-2-carboxylate

ethyl 5-nitropyrimidine-2-carboxylate

CAS: 1894988-20-5

Formula: C7H7N3O4

SMILES: CCOC(=O)C1=NC=C(C=N1)[N+]([O-])=O

IUPAC: ethyl 5-nitropyrimidine-2-carboxylate

InChI: InChI=1S/C7H7N3O4/c1-2-14-7(11)6-8-3-5(4-9-6)10(12)13/h3-4H,2H2,1H3

Composition: C (42.65%), H (3.58%), N (21.31%), O (32.46%)

Molar Mass: 197.15

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.043655717
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey AJIMLVFVRUXVEG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.48
Topological Polar Surface Area 95.22
Polarizability 16.91
Ring Count 1
Rotatable Bond Count 4

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