ethyl 5-nitro-1-benzofuran-3-carboxylate

ethyl 5-nitro-1-benzofuran-3-carboxylate

CAS: 1260758-43-7

Formula: C11H9NO5

SMILES: CCOC(=O)C1=COC2=CC=C(C=C12)[N+]([O-])=O

IUPAC: ethyl 5-nitro-1-benzofuran-3-carboxylate

InChI: InChI=1S/C11H9NO5/c1-2-16-11(13)9-6-17-10-4-3-7(12(14)15)5-8(9)10/h3-6H,2H2,1H3

Composition: C (56.18%), H (3.86%), N (5.96%), O (34.01%)

Molar Mass: 235.195

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	235.048072394
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SBJHGVJUTQDHDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.99
Topological Polar Surface Area	82.58
Polarizability	22.89
Ring Count	2
Rotatable Bond Count	4

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